2-chloranyl-N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-benzamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c21-18-6-5-16(24(27)28)10-17(18)19(25)22-15-4-3-12-7-8-23(11-14(12)9-15)20(26)13-1-2-13/h3-6,9-10,13H,1-2,7-8,11H2,(H,22,25)