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

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-N-propyl-benzamide CAS Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitro-N-propylbenzamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitro-N-propylbenzamide Traditional Name: N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-nitro-N-propyl-benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-3-12-23(22(27)18-8-6-9-19(14-18)25(28)29)15-21(26)24-13-11-17-7-4-5-10-20(17)16(24)2/h4-10,14,16H,3,11-13,15H2,1-2H3