N-(4-cyano-1-methyl-piperidin-4-yl)-3-cyclohexyl-2-[(4-phenylpiperazin-1-yl)methylamino]propanamide

Systemtic Name: N-(4-cyano-1-methyl-piperidin-4-yl)-3-cyclohexyl-2-[(4-phenylpiperazin-1-yl)methylamino]propanamide Openeye Name: N-(4-cyano-1-methyl-4-piperidyl)-3-cyclohexyl-2-[(4-phenylpiperazin-1-yl)methylamino]propanamide CAS Name: N-(4-cyano-1-methyl-4-piperidinyl)-3-cyclohexyl-2-[(4-phenyl-1-piperazinyl)methylamino]propanamide IUPAC Name: N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexyl-2-[(4-phenylpiperazin-1-yl)methylamino]propanamide Traditional Name: N-(4-cyano-1-methyl-4-piperidyl)-3-cyclohexyl-2-[(4-phenylpiperazino)methylamino]propionamide Formula: C27H42N6O MolecularWeight: 466.66198

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)NCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)NCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H42N6O/c1-31-14-12-27(21-28,13-15-31)30-26(34)25(20-23-8-4-2-5-9-23)29-22-32-16-18-33(19-17-32)24-10-6-3-7-11-24/h3,6-7,10-11,23,25,29H,2,4-5,8-9,12-20,22H2,1H3,(H,30,34)