3-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[5-(1-piperidyl)-8-isoquinolyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-(5-piperidino-8-isoquinolyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C23H21N7O3 MolecularWeight: 443.45794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O3/c31-23(16-4-6-21(22(12-16)30(32)33)29-15-25-14-26-29)27-19-5-7-20(28-10-2-1-3-11-28)17-8-9-24-13-18(17)19/h4-9,12-15H,1-3,10-11H2,(H,27,31)