2-[(2-chloranyl-5-nitro-phenyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one CAS Name: 2-[(2-chloro-5-nitrophenyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-1-butanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-1-one Traditional Name: 2-[(2-chloro-5-nitro-benzyl)amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one Formula: C24H30ClN3O5 MolecularWeight: 475.9651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H30ClN3O5/c1-24(2,3)22(26-13-16-10-18(28(30)31)6-7-19(16)25)23(29)27-9-8-15-11-20(32-4)21(33-5)12-17(15)14-27/h6-7,10-12,22,26H,8-9,13-14H2,1-5H3