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

Systemtic Name: 3-[2-[4-(1-methylpyrrol-2-yl)carbonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[(1-methyl-2-pyrrolyl)-oxomethyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(1-methylpyrrole-2-carbonyl)piperazino]-8-quinolyl]benzonitrile Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C26H23N5O/c1-29-12-4-9-23(29)26(32)31-15-13-30(14-16-31)24-11-10-20-6-3-8-22(25(20)28-24)21-7-2-5-19(17-21)18-27/h2-12,17H,13-16H2,1H3