4-[(2,4-dimethylphenyl)amino]-7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[3-[[4-(2-hydroxyethyl)piperazino]methyl]phenyl]quinoline-3-carbonitrile Formula: C31H33N5O MolecularWeight: 491.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCN(CC5)CCO)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCN(CC5)CCO)C

InChI

InChI=1S/C31H33N5O/c1-22-6-9-29(23(2)16-22)34-31-27(19-32)20-33-30-18-26(7-8-28(30)31)25-5-3-4-24(17-25)21-36-12-10-35(11-13-36)14-15-37/h3-9,16-18,20,37H,10-15,21H2,1-2H3,(H,33,34)