1-[2-(3-nitrophenyl)-3-phenyl-1H-isoquinolin-1-yl]butan-2-one

Systemtic Name: 1-[2-(3-nitrophenyl)-3-phenyl-1H-isoquinolin-1-yl]butan-2-one Openeye Name: 1-[2-(3-nitrophenyl)-3-phenyl-1H-isoquinolin-1-yl]butan-2-one CAS Name: 1-[2-(3-nitrophenyl)-3-phenyl-1H-isoquinolin-1-yl]-2-butanone IUPAC Name: 1-[2-(3-nitrophenyl)-3-phenyl-1H-isoquinolin-1-yl]butan-2-one Traditional Name: 1-[2-(3-nitrophenyl)-3-phenyl-1H-isoquinolin-1-yl]butan-2-one Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1C2=CC=CC=C2C=C(N1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCC(=O)CC1C2=CC=CC=C2C=C(N1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-2-22(28)17-25-23-14-7-6-11-19(23)15-24(18-9-4-3-5-10-18)26(25)20-12-8-13-21(16-20)27(29)30/h3-16,25H,2,17H2,1H3