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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)butan-1-one Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)butan-1-one CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)-1-butanone IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-nitrophenyl)butan-1-one Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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