3-[4-(3-azanylpropoxy)-7-chloranyl-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide

Systemtic Name: 3-[4-(3-azanylpropoxy)-7-chloranyl-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide Openeye Name: 3-[4-(3-aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)-6-quinolyl]benzamide CAS Name: 3-[4-(3-aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)-6-quinolinyl]benzamide IUPAC Name: 3-[4-(3-aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide Traditional Name: 3-[4-(3-aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)-6-quinolyl]benzamide Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N=C2)Cl)C4=CC(=CC=C4)C(=O)N)OCCCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N=C2)Cl)C4=CC(=CC=C4)C(=O)N)OCCCN)C

InChI

InChI=1S/C27H26ClN3O2/c1-16-9-17(2)11-20(10-16)23-15-31-25-14-24(28)21(13-22(25)26(23)33-8-4-7-29)18-5-3-6-19(12-18)27(30)32/h3,5-6,9-15H,4,7-8,29H2,1-2H3,(H2,30,32)