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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

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