4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-nitrophenyl)butan-1-one

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-nitrophenyl)butan-1-one Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-nitrophenyl)butan-1-one CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-nitrophenyl)-1-butanone IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-nitrophenyl)butan-1-one Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-nitrophenyl)butan-1-one Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O3/c22-19(16-7-3-8-18(13-16)21(23)24)9-4-11-20-12-10-15-5-1-2-6-17(15)14-20/h1-3,5-8,13H,4,9-12,14H2