1-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-piperidyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidino]-3-nitro-phenyl]ethanone Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-16(27)19-6-7-21(22(14-19)26(29)30)24-11-9-18(10-12-24)23(28)25-13-8-17-4-2-3-5-20(17)15-25/h2-7,14,18H,8-13,15H2,1H3