N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C27H29N3O5 MolecularWeight: 475.53626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])OC

InChI

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