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

Systemtic Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C23H22N6O MolecularWeight: 398.46038

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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

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C23H22N6O/c30-23(17-4-6-18(7-5-17)29-16-25-15-26-29)27-21-8-9-22(28-12-2-1-3-13-28)19-10-11-24-14-20(19)21/h4-11,14-16H,1-3,12-13H2,(H,27,30)