4-[2-[(3-chlorophenyl)carbonylamino]-4-(phenethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(3-chlorophenyl)carbonylamino]-4-(phenethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(phenethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-[[(3-chlorophenyl)-oxomethyl]amino]-4-[oxo-(phenethylamino)methyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(phenethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(phenethylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C30H34ClN5O3 MolecularWeight: 548.07566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34ClN5O3/c1-2-32-30(39)36-17-7-16-35(18-19-36)27-13-12-24(28(37)33-15-14-22-8-4-3-5-9-22)21-26(27)34-29(38)23-10-6-11-25(31)20-23/h3-6,8-13,20-21H,2,7,14-19H2,1H3,(H,32,39)(H,33,37)(H,34,38)