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

Systemtic Name: N-(3-methylbutyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-isopentyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-(3-methylbutyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-isoamyl-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:

CC1C2=CC=CC=C2CCN1C(=O)CN(CCC(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CCC(C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O4/c1-17(2)11-13-25(24(29)20-8-6-9-21(15-20)27(30)31)16-23(28)26-14-12-19-7-4-5-10-22(19)18(26)3/h4-10,15,17-18H,11-14,16H2,1-3H3