3-[4-[2-cyclohexyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-4-methoxy-benzenecarbonitrile

Systemtic Name: 3-[4-[2-cyclohexyl-2-oxidanylidene-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-4-methoxy-benzenecarbonitrile Openeye Name: 3-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-4-methoxy-benzonitrile CAS Name: 3-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]-1-piperazinyl]-4-methoxybenzonitrile IUPAC Name: 3-[4-[2-cyclohexyl-2-oxo-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazin-1-yl]-4-methoxybenzonitrile Traditional Name: 3-[4-[2-cyclohexyl-2-keto-1-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]piperazino]-4-methoxy-benzonitrile Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)N2CCN(CC2)C(C3CCC4=CC=CC=C4N3)C(=O)C5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)N2CCN(CC2)C(C3CCC4=CC=CC=C4N3)C(=O)C5CCCCC5

InChI

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