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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[3-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[3-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[3-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C31H27N5 MolecularWeight: 469.57958

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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)CNCC5=CC=NC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CNCC5=CC=NC=C5)C

InChI

InChI=1S/C31H27N5/c1-21-6-9-29(22(2)14-21)36-31-27(17-32)20-35-30-16-26(7-8-28(30)31)25-5-3-4-24(15-25)19-34-18-23-10-12-33-13-11-23/h3-16,20,34H,18-19H2,1-2H3,(H,35,36)