1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-nitroanilino)butan-1-one CAS Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-nitroanilino)butan-1-one Traditional Name: 1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(4-nitroanilino)butan-1-one Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C27H29N3O5/c1-34-24-17-20-14-16-29(27(19-7-4-3-5-8-19)23(20)18-25(24)35-2)26(31)9-6-15-28-21-10-12-22(13-11-21)30(32)33/h3-5,7-8,10-13,17-18,27-28H,6,9,14-16H2,1-2H3