4-[2-benzamido-4-[2-(4-methylphenyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-benzamido-4-[2-(4-methylphenyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-benzamido-4-[2-(p-tolyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-benzamido-4-[[2-(4-methylphenyl)ethylamino]-oxomethyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-benzamido-4-[2-(4-methylphenyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-benzamido-4-[2-(p-tolyl)ethylcarbamoyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C31H37N5O3 MolecularWeight: 527.65718

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H37N5O3/c1-3-32-31(39)36-19-7-18-35(20-21-36)28-15-14-26(22-27(28)34-30(38)25-8-5-4-6-9-25)29(37)33-17-16-24-12-10-23(2)11-13-24/h4-6,8-15,22H,3,7,16-21H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)