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

Systemtic Name: N-[2-(4-cyclohexylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenyl-acetamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenylacetamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-2-phenyl-acetamide Formula: C31H41N5O3 MolecularWeight: 531.68894

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H41N5O3/c37-29(22-24-8-3-1-4-9-24)33-27-23-26(31(39)35-16-7-14-32-15-17-35)12-13-28(27)34-18-20-36(21-19-34)30(38)25-10-5-2-6-11-25/h1,3-4,8-9,12-13,23,25,32H,2,5-7,10-11,14-22H2,(H,33,37)