2-chloranyl-N-[2-(2-pyridin-3-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(2-pyridin-3-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-[2-(3-pyridyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-[1-oxo-2-(3-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(2-pyridin-3-ylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-[2-(3-pyridyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C23H20ClN3O2 MolecularWeight: 405.8768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H20ClN3O2/c24-21-6-2-1-5-20(21)23(29)26-19-8-7-17-9-11-27(15-18(17)13-19)22(28)12-16-4-3-10-25-14-16/h1-8,10,13-14H,9,11-12,15H2,(H,26,29)