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

Systemtic Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[5-(1-piperidyl)-8-isoquinolyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-(5-piperidin-1-ylisoquinolin-8-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(5-piperidino-8-isoquinolyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C24H24N6O MolecularWeight: 412.48696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C24H24N6O/c31-24(19-6-4-18(5-7-19)15-30-17-26-16-27-30)28-22-8-9-23(29-12-2-1-3-13-29)20-10-11-25-14-21(20)22/h4-11,14,16-17H,1-3,12-13,15H2,(H,28,31)