[(3S)-7-chloranyl-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-7-chloranyl-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-7-chloro-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-7-chloro-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-7-chloro-2-[(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-7-chloro-2-(3-phenoxybenzyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=C(CN2CC4=CC(=CC=C4)OC5=CC=CC=C5)C=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=C(CN2CC4=CC(=CC=C4)OC5=CC=CC=C5)C=C(C=C3)Cl

InChI

InChI=1S/C27H27ClN2O2/c28-23-12-11-21-17-26(27(31)29-13-4-5-14-29)30(19-22(21)16-23)18-20-7-6-10-25(15-20)32-24-8-2-1-3-9-24/h1-3,6-12,15-16,26H,4-5,13-14,17-19H2/t26-/m0/s1