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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[3-[(4-oxidanylpiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[3-[(4-hydroxy-1-piperidyl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[3-[(4-hydroxy-1-piperidinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[3-[(4-hydroxypiperidino)methyl]phenyl]quinoline-3-carbonitrile Formula: C30H30N4O MolecularWeight: 462.5854

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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)CN5CCC(CC5)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCC(CC5)O)C

InChI

InChI=1S/C30H30N4O/c1-20-6-9-28(21(2)14-20)33-30-25(17-31)18-32-29-16-24(7-8-27(29)30)23-5-3-4-22(15-23)19-34-12-10-26(35)11-13-34/h3-9,14-16,18,26,35H,10-13,19H2,1-2H3,(H,32,33)