5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]-1,2,4-triazole-3-carboxamide Openeye Name: 5-(3-amino-1-piperidyl)-4-but-2-ynyl-N-[(3-methyl-1-isoquinolyl)methyl]-1,2,4-triazole-3-carboxamide CAS Name: 5-(3-amino-1-piperidinyl)-4-but-2-ynyl-N-[(3-methyl-1-isoquinolinyl)methyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]-1,2,4-triazole-3-carboxamide Traditional Name: 5-(3-aminopiperidino)-4-but-2-ynyl-N-[(3-methyl-1-isoquinolyl)methyl]-1,2,4-triazole-3-carboxamide Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)NCC3=NC(=CC4=CC=CC=C43)C

Isomeric SMILES

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)NCC3=NC(=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N7O/c1-3-4-12-30-21(27-28-23(30)29-11-7-9-18(24)15-29)22(31)25-14-20-19-10-6-5-8-17(19)13-16(2)26-20/h5-6,8,10,13,18H,7,9,11-12,14-15,24H2,1-2H3,(H,25,31)