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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[4-[(4-pyridylmethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[4-[(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=C(C=C4)CNCC5=CC=NC=C5)C

Isomeric SMILES

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

InChI

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