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

Systemtic Name: 4-chloranyl-2-[4-[(1-cyclohexylcarbonyl-3,4-dihydro-2H-quinolin-2-yl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-chloro-2-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]benzonitrile CAS Name: 4-chloro-2-[4-[[1-[cyclohexyl(oxo)methyl]-3,4-dihydro-2H-quinolin-2-yl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-chloro-2-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]benzonitrile Traditional Name: 4-chloro-2-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazino]benzonitrile Formula: C28H33ClN4O MolecularWeight: 477.04082

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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(=C5)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN4O/c29-24-12-10-23(19-30)27(18-24)32-16-14-31(15-17-32)20-25-13-11-21-6-4-5-9-26(21)33(25)28(34)22-7-2-1-3-8-22/h4-6,9-10,12,18,22,25H,1-3,7-8,11,13-17,20H2