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

Systemtic Name: (phenylmethyl) N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-isonicotinoylpiperazino)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=CC=NC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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