2-(benzimidazol-1-yl)-1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone Openeye Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]ethanone CAS Name: 2-(1-benzimidazolyl)-1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]ethanone IUPAC Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-(benzimidazol-1-yl)-1-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]ethanone Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)C(=O)CN4C=NC5=CC=CC=C54)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCCN(C3)C(=O)CN4C=NC5=CC=CC=C54)OC

InChI

InChI=1S/C25H30N4O3/c1-31-23-12-18-9-11-27(14-19(18)13-24(23)32-2)20-6-5-10-28(15-20)25(30)16-29-17-26-21-7-3-4-8-22(21)29/h3-4,7-8,12-13,17,20H,5-6,9-11,14-16H2,1-2H3/t20-/m0/s1