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

Systemtic Name: [(3S)-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3S)-2-[(5-chloro-2-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-(1-piperidyl)methanone CAS Name: [(3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-(1-piperidinyl)methanone IUPAC Name: [(3S)-2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3S)-2-(5-chloro-2-hydroxy-benzyl)-3,4-dihydro-1H-isoquinolin-3-yl]-piperidino-methanone Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CC3=CC=CC=C3CN2CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C22H25ClN2O2/c23-19-8-9-21(26)18(12-19)15-25-14-17-7-3-2-6-16(17)13-20(25)22(27)24-10-4-1-5-11-24/h2-3,6-9,12,20,26H,1,4-5,10-11,13-15H2/t20-/m0/s1