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N-(1H-indol-2-ylmethyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID Fk4eXsXgdnd
InChI InChI=1S/C26H22N4O/c1-18-24(26(31)27-17-21-16-20-12-8-9-15-23(20)28-21)25(19-10-4-2-5-11-19)29-30(18)22-13-6-3-7-14-22/h2-16,28H,17H2,1H3,(H,27,31)
InChIKey USOXQYAVEZCXNM-UHFFFAOYSA-N
Mol Weight 406.49 g/mol
Molecular Formula C26H22N4O
Exact Mass 406.179361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlqyQ6P1DQi
Name N-(1H-Indol-2-ylmethyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 406.179361343 u
Formula C26H22N4O
InChI InChI=1S/C26H22N4O/c1-18-24(26(31)27-17-21-16-20-12-8-9-15-23(20)28-21)25(19-10-4-2-5-11-19)29-30(18)22-13-6-3-7-14-22/h2-16,28H,17H2,1H3,(H,27,31)
InChIKey USOXQYAVEZCXNM-UHFFFAOYSA-N
Molecular Weight 406.489 g/mol
SMILES N(C(C1=C(N(C=2C=CC=CC2)N=C1C1=CC=CC=C1)C)=O)CC=1NC=2C=CC=CC2C1