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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[4-[(4-methylpiperazino)methyl]phenyl]quinoline-3-carbonitrile Formula: C30H31N5 MolecularWeight: 461.60064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N5/c1-21-4-11-28(22(2)16-21)33-30-26(18-31)19-32-29-17-25(9-10-27(29)30)24-7-5-23(6-8-24)20-35-14-12-34(3)13-15-35/h4-11,16-17,19H,12-15,20H2,1-3H3,(H,32,33)