3-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-(4-m-anisoylpiperazino)-8-quinolyl]benzonitrile Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C28H24N4O2/c1-34-24-9-3-8-23(18-24)28(33)32-15-13-31(14-16-32)26-12-11-21-6-4-10-25(27(21)30-26)22-7-2-5-20(17-22)19-29/h2-12,17-18H,13-16H2,1H3