N-[3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenyl]-2-nitro-benzamide

Systemtic Name: N-[3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenyl]-2-nitro-benzamide Openeye Name: N-[3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenyl]-2-nitro-benzamide CAS Name: N-[3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenyl]-2-nitrobenzamide Traditional Name: N-[3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenyl]-2-nitro-benzamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])OC

InChI

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