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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-phenylmethanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-phenyl-methanone Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O3/c25-22(17-7-2-1-3-8-17)18-10-11-20(21(14-18)24(26)27)23-13-12-16-6-4-5-9-19(16)15-23/h1-11,14H,12-13,15H2