3-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 3-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26ClN3O2/c28-22-9-5-8-20(16-22)26(32)29-23-10-11-25(24(17-23)27(33)30-13-3-4-14-30)31-15-12-19-6-1-2-7-21(19)18-31/h1-2,5-11,16-17H,3-4,12-15,18H2,(H,29,32)