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

Systemtic Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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