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

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dimethylanilino)-7-[3-(morpholinomethyl)phenyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dimethylanilino)-7-[3-(4-morpholinylmethyl)phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dimethylanilino)-7-[3-(morpholin-4-ylmethyl)phenyl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dimethylanilino)-7-[3-(morpholinomethyl)phenyl]quinoline-3-carbonitrile Formula: C29H28N4O MolecularWeight: 448.55882

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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)CN5CCOCC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC(=CC=C4)CN5CCOCC5)C

InChI

InChI=1S/C29H28N4O/c1-20-6-9-27(21(2)14-20)32-29-25(17-30)18-31-28-16-24(7-8-26(28)29)23-5-3-4-22(15-23)19-33-10-12-34-13-11-33/h3-9,14-16,18H,10-13,19H2,1-2H3,(H,31,32)