7-nitro-2-[1-(phenylmethyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 7-nitro-2-[1-(phenylmethyl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(1-benzyl-3-piperidyl)-7-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 7-nitro-2-[1-(phenylmethyl)-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1-benzylpiperidin-3-yl)-7-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1-benzyl-3-piperidyl)-7-nitro-3,4-dihydro-1H-isoquinoline Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)N3CCC4=C(C3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)N3CCC4=C(C3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O2/c25-24(26)20-9-8-18-10-12-23(15-19(18)13-20)21-7-4-11-22(16-21)14-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,21H,4,7,10-12,14-16H2