4-methyl-3-nitro-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-methyl-3-nitro-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-methyl-3-nitro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 4-methyl-3-nitro-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-14-4-5-16(12-19(14)25(28)29)21(26)23-18-7-6-15-8-9-24(13-17(15)11-18)22(27)20-3-2-10-30-20/h2-7,10-12H,8-9,13H2,1H3,(H,23,26)