3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrophenyl)carbonylpiperidin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrophenyl)carbonylpiperidin-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrobenzoyl)-3-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-nitrophenyl)-oxomethyl]-3-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrobenzoyl)piperidin-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-nitrobenzoyl)-3-piperidyl]methanone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H23N3O4/c26-21(17-7-3-9-20(13-17)25(28)29)23-11-4-8-19(15-23)22(27)24-12-10-16-5-1-2-6-18(16)14-24/h1-3,5-7,9,13,19H,4,8,10-12,14-15H2