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

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-methyl-4-nitro-benzamide Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3/c1-18-16-21(8-11-24(18)28(30)31)25(29)26-14-12-19-6-9-23(10-7-19)27-15-13-20-4-2-3-5-22(20)17-27/h2-11,16H,12-15,17H2,1H3,(H,26,29)