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

Systemtic Name: (phenylmethyl) N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: benzyl N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]carbamic acid benzyl ester Formula: C31H32N6O4 MolecularWeight: 552.62358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H32N6O4/c32-21-23-6-8-25(9-7-23)29(38)37-18-16-35(17-19-37)28-11-10-26(30(39)36-14-12-33-13-15-36)20-27(28)34-31(40)41-22-24-4-2-1-3-5-24/h1-11,20,33H,12-19,22H2,(H,34,40)