3-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]benzamide Openeye Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]benzamide CAS Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]benzamide IUPAC Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]benzamide Traditional Name: 3-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]benzamide Formula: C26H28ClN3O MolecularWeight: 433.97302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)Cl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)Cl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H28ClN3O/c1-29(2)24-12-10-20(11-13-24)25(17-28-26(31)21-8-5-9-23(27)16-21)30-15-14-19-6-3-4-7-22(19)18-30/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,28,31)