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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitrobenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-nitro-benzamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c24-19(15-2-1-3-18(11-15)23(26)27)21-17-7-6-13-8-9-22(12-16(13)10-17)20(25)14-4-5-14/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,21,24)