(phenylmethyl) N-[2-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: benzyl N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamic acid benzyl ester Formula: C32H34N6O4 MolecularWeight: 566.65016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H34N6O4/c33-22-24-7-9-26(10-8-24)30(39)37-16-4-15-36(19-20-37)29-12-11-27(31(40)38-17-13-34-14-18-38)21-28(29)35-32(41)42-23-25-5-2-1-3-6-25/h1-3,5-12,21,34H,4,13-20,23H2,(H,35,41)