2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-7-methoxy-quinoline-3-carbonitrile CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-7-methoxyquinoline-3-carbonitrile Traditional Name: 2-[4-(4-chlorobenzoyl)piperazino]-7-methoxy-quinoline-3-carbonitrile Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H19ClN4O2/c1-29-19-7-4-16-12-17(14-24)21(25-20(16)13-19)26-8-10-27(11-9-26)22(28)15-2-5-18(23)6-3-15/h2-7,12-13H,8-11H2,1H3