N-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-(2-methyl-1-oxo-4-isoquinolyl)-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-(2-methyl-1-oxo-4-isoquinolinyl)-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-(2-methyl-1-oxoisoquinolin-4-yl)-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-(1-keto-2-methyl-4-isoquinolyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-23-14-19(17-4-2-3-5-18(17)20(23)27)22-21(28)25-12-10-24(11-13-25)15-6-8-16(9-7-15)26(29)30/h2-9,14H,10-13H2,1H3,(H,22,28)