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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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