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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(2-nitroanilino)butan-1-one CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(2-nitroanilino)-1-butanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(2-nitroanilino)butan-1-one Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(2-nitroanilino)butan-1-one Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c1-23(2,3)21(24-17-8-6-7-9-18(17)26(28)29)22(27)25-11-10-15-12-19(30-4)20(31-5)13-16(15)14-25/h6-9,12-13,21,24H,10-11,14H2,1-5H3