(phenylmethyl) N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-nicotinoylpiperazino)phenyl]carbamic acid benzyl ester Formula: C31H36N6O4 MolecularWeight: 556.65534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O4/c32-25-9-11-26(12-10-25)34-29(38)23-8-13-28(27(19-23)35-31(40)41-21-22-5-2-1-3-6-22)36-15-17-37(18-16-36)30(39)24-7-4-14-33-20-24/h1-8,13-14,19-20,25-26H,9-12,15-18,21,32H2,(H,34,38)(H,35,40)