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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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