N-[2-[4-(4-azanyl-2-methoxy-phenyl)piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide

Systemtic Name: N-[2-[4-(4-azanyl-2-methoxy-phenyl)piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide Openeye Name: N-[2-[4-(4-amino-2-methoxy-phenyl)piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide CAS Name: N-[2-[4-(4-amino-2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide IUPAC Name: N-[2-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide Traditional Name: N-[2-[4-(4-amino-2-methoxy-phenyl)piperazino]ethyl]-N-(2-cyanophenyl)cyclohexanecarboxamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)N2CCN(CC2)CCN(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)N)N2CCN(CC2)CCN(C3=CC=CC=C3C#N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H35N5O2/c1-34-26-19-23(29)11-12-25(26)31-16-13-30(14-17-31)15-18-32(24-10-6-5-9-22(24)20-28)27(33)21-7-3-2-4-8-21/h5-6,9-12,19,21H,2-4,7-8,13-18,29H2,1H3