5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide

Systemtic Name: 5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide Openeye Name: 2-phenyl-5-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide CAS Name: 5-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide IUPAC Name: 5-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide Traditional Name: 5-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-phenyl-2-pyrazoline-3-carboxamide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c1-18-8-10-19(11-9-18)17-27-12-5-13-28(15-14-27)24(31)21-16-22(23(25)30)29(26-21)20-6-3-2-4-7-20/h2-4,6-11,22H,5,12-17H2,1H3,(H2,25,30)