4-chloranyl-2-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 4-chloranyl-2-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 4-chloro-2-nitro-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 4-chloro-2-nitro-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 4-chloro-2-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 4-chloro-2-nitro-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O3/c22-14-4-5-16(20(12-14)26(28)29)21(27)24-18-6-7-19(25-10-2-1-3-11-25)15-8-9-23-13-17(15)18/h4-9,12-13H,1-3,10-11H2,(H,24,27)