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

Systemtic Name: 4-[2-[(3-chlorophenyl)carbonylamino]-4-(2-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(2-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-[[(3-chlorophenyl)-oxomethyl]amino]-4-[oxo-(2-phenylpropylamino)methyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(2-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(2-phenylpropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C31H36ClN5O3 MolecularWeight: 562.10224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36ClN5O3/c1-3-33-31(40)37-16-8-15-36(17-18-37)28-14-13-25(29(38)34-21-22(2)23-9-5-4-6-10-23)20-27(28)35-30(39)24-11-7-12-26(32)19-24/h4-7,9-14,19-20,22H,3,8,15-18,21H2,1-2H3,(H,33,40)(H,34,38)(H,35,39)