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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c24-19(14-22-12-9-15-3-1-2-4-16(15)13-22)21-11-10-20-17-5-7-18(8-6-17)23(25)26/h1-8,20H,9-14H2,(H,21,24)