6,7-dimethoxy-2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[1-[(2-nitrophenyl)methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[1-[(2-nitrophenyl)methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[1-(2-nitrobenzyl)-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCCN(C3)CC4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C23H29N3O4/c1-29-22-12-17-9-11-25(15-19(17)13-23(22)30-2)20-7-5-10-24(16-20)14-18-6-3-4-8-21(18)26(27)28/h3-4,6,8,12-13,20H,5,7,9-11,14-16H2,1-2H3