2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(4-nitrophenyl)amino]propyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(4-nitrophenyl)amino]propyl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-nitroanilino)propyl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-nitroanilino)propyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-nitroanilino)propyl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-nitroanilino)propyl]acetamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NCCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NCCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c25-20(15-23-13-10-16-4-1-2-5-17(16)14-23)22-12-3-11-21-18-6-8-19(9-7-18)24(26)27/h1-2,4-9,21H,3,10-15H2,(H,22,25)