N-[(4-cyanophenyl)methyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(4-cyanophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(4-cyanophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(4-cyanobenzyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2/c1-32-23-9-5-8-22(14-23)25-24(18-30(29-25)17-21-6-3-2-4-7-21)26(31)28-16-20-12-10-19(15-27)11-13-20/h2-14,18H,16-17H2,1H3,(H,28,31)