[4-(azepan-1-yl)-3-nitro-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H29N3O5/c1-31-22-14-17-9-12-26(16-19(17)15-23(22)32-2)24(28)18-7-8-20(21(13-18)27(29)30)25-10-5-3-4-6-11-25/h7-8,13-15H,3-6,9-12,16H2,1-2H3