4-[[4-[(7-methoxy-4-oxidanylidene-1H-quinolin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(7-methoxy-4-oxidanylidene-1H-quinolin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(7-methoxy-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7-methoxy-4-oxo-1H-quinolin-3-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(7-methoxy-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-7-methoxy-1H-quinoline-3-carbonyl)piperazino]methyl]benzonitrile Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O3/c1-30-18-6-7-19-21(12-18)25-14-20(22(19)28)23(29)27-10-8-26(9-11-27)15-17-4-2-16(13-24)3-5-17/h2-7,12,14H,8-11,15H2,1H3,(H,25,28)