N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-4-methyl-3-nitro-benzamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O3/c1-19-8-9-22(16-25(19)31(33)34)27(32)28-17-26(21-10-12-24(13-11-21)29(2)3)30-15-14-20-6-4-5-7-23(20)18-30/h4-13,16,26H,14-15,17-18H2,1-3H3,(H,28,32)