azepan-1-yl-[(3S)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-2-[(5-chloro-2-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[(3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-2-(5-chloro-2-hydroxy-benzyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C23H27ClN2O2 MolecularWeight: 398.92568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CC3=CC=CC=C3CN2CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C23H27ClN2O2/c24-20-9-10-22(27)19(13-20)16-26-15-18-8-4-3-7-17(18)14-21(26)23(28)25-11-5-1-2-6-12-25/h3-4,7-10,13,21,27H,1-2,5-6,11-12,14-16H2/t21-/m0/s1