2-[4-[(1-cyclohexylcarbonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(1-cyclohexylcarbonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[[1-[cyclohexyl(oxo)methyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazino]nicotinonitrile Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(CCC3=CC=CC=C32)CN4CCN(CC4)C5=C(C=CC=N5)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(CCC3=CC=CC=C32)CN4CCN(CC4)C5=C(C=CC=N5)C#N

InChI

InChI=1S/C27H33N5O/c28-19-23-10-6-14-29-26(23)31-17-15-30(16-18-31)20-24-13-12-21-7-4-5-11-25(21)32(24)27(33)22-8-2-1-3-9-22/h4-7,10-11,14,22,24H,1-3,8-9,12-13,15-18,20H2