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

Systemtic Name: (phenylmethyl) N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazino]phenyl]carbamic acid benzyl ester Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O4/c30-23-9-11-24(12-10-23)31-27(35)22-8-13-26(33-14-16-34(17-15-33)28(36)21-6-7-21)25(18-22)32-29(37)38-19-20-4-2-1-3-5-20/h1-5,8,13,18,21,23-24H,6-7,9-12,14-17,19,30H2,(H,31,35)(H,32,37)