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

Systemtic Name: 3-[4-[(1-cyclohexylcarbonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazin-1-yl]-4-methoxy-benzenecarbonitrile Openeye Name: 3-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]-4-methoxy-benzonitrile CAS Name: 3-[4-[[1-[cyclohexyl(oxo)methyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]-1-piperazinyl]-4-methoxybenzonitrile IUPAC Name: 3-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]-4-methoxybenzonitrile Traditional Name: 3-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazino]-4-methoxy-benzonitrile Formula: C29H36N4O2 MolecularWeight: 472.62174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)N2CCN(CC2)CC3CCC4=CC=CC=C4N3C(=O)C5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)N2CCN(CC2)CC3CCC4=CC=CC=C4N3C(=O)C5CCCCC5

InChI

InChI=1S/C29H36N4O2/c1-35-28-14-11-22(20-30)19-27(28)32-17-15-31(16-18-32)21-25-13-12-23-7-5-6-10-26(23)33(25)29(34)24-8-3-2-4-9-24/h5-7,10-11,14,19,24-25H,2-4,8-9,12-13,15-18,21H2,1H3