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

Systemtic Name: 2-chloranyl-N-(3-methylbutyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-isopentyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-(3-methylbutyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(3-methylbutyl)-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-isoamyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-nitro-benzamide Formula: C24H28ClN3O4 MolecularWeight: 457.94982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O4/c1-16(2)10-12-26(24(30)21-9-8-19(28(31)32)14-22(21)25)15-23(29)27-13-11-18-6-4-5-7-20(18)17(27)3/h4-9,14,16-17H,10-13,15H2,1-3H3