(phenylmethyl) N-[2-(4-cyclohexylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(4-cyclohexylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamate Openeye Name: benzyl N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(cyclohexanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamic acid benzyl ester Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H41N5O4/c37-29(25-10-5-2-6-11-25)36-20-18-34(19-21-36)28-13-12-26(30(38)35-16-7-14-32-15-17-35)22-27(28)33-31(39)40-23-24-8-3-1-4-9-24/h1,3-4,8-9,12-13,22,25,32H,2,5-7,10-11,14-21,23H2,(H,33,39)