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

Systemtic Name: (phenylmethyl) N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopentylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopentanecarbonyl)piperazino]phenyl]carbamic acid benzyl ester Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H41N5O4/c32-25-11-13-26(14-12-25)33-29(37)24-10-15-28(27(20-24)34-31(39)40-21-22-6-2-1-3-7-22)35-16-18-36(19-17-35)30(38)23-8-4-5-9-23/h1-3,6-7,10,15,20,23,25-26H,4-5,8-9,11-14,16-19,21,32H2,(H,33,37)(H,34,39)