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

Systemtic Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-3-nitro-benzamide Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)CCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC=C(C=C3)CCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3/c28-24(20-6-3-7-23(16-20)27(29)30)25-14-12-18-8-10-22(11-9-18)26-15-13-19-4-1-2-5-21(19)17-26/h1-11,16H,12-15,17H2,(H,25,28)