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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[4-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[4-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[4-[(2-hydroxyethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[4-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[4-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C27H26N4O MolecularWeight: 422.52154

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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)CNCCO)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O/c1-18-3-10-25(19(2)13-18)31-27-23(15-28)17-30-26-14-22(8-9-24(26)27)21-6-4-20(5-7-21)16-29-11-12-32/h3-10,13-14,17,29,32H,11-12,16H2,1-2H3,(H,30,31)