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

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-nitro-benzamide Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-3-4-7-14-25(24(29)20-10-8-11-21(16-20)27(30)31)17-23(28)26-15-13-19-9-5-6-12-22(19)18(26)2/h5-6,8-12,16,18H,3-4,7,13-15,17H2,1-2H3