N-isoquinolin-5-yl-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-isoquinolin-5-yl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5-isoquinolyl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(5-isoquinolinyl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-isoquinolin-5-yl-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5-isoquinolyl)-3-nitro-4-piperidino-benzamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c26-21(23-18-6-4-5-16-14-22-10-9-17(16)18)15-7-8-19(20(13-15)25(27)28)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2,(H,23,26)