4-[(2,4-dimethylphenyl)amino]-7-[3-(piperidin-1-ylmethyl)phenyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[3-(piperidin-1-ylmethyl)phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[3-(1-piperidylmethyl)phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[3-(1-piperidinylmethyl)phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[3-(piperidin-1-ylmethyl)phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[3-(piperidinomethyl)phenyl]quinoline-3-carbonitrile Formula: C30H30N4 MolecularWeight: 446.586

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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)CN5CCCCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCCCC5)C

InChI

InChI=1S/C30H30N4/c1-21-9-12-28(22(2)15-21)33-30-26(18-31)19-32-29-17-25(10-11-27(29)30)24-8-6-7-23(16-24)20-34-13-4-3-5-14-34/h6-12,15-17,19H,3-5,13-14,20H2,1-2H3,(H,32,33)