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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(2-nitroanilino)propanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(2-nitroanilino)propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)CCNC1=CC=CC=C1[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N4O3/c1-2-19(25-14-12-17-7-3-4-8-18(17)16-25)15-24-22(27)11-13-23-20-9-5-6-10-21(20)26(28)29/h3-10,19,23H,2,11-16H2,1H3,(H,24,27)