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

Systemtic Name: 5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-(3-methylisoquinolin-1-yl)-1,2,4-triazole-3-carboxamide Openeye Name: 5-(3-amino-1-piperidyl)-4-but-2-ynyl-N-methyl-N-(3-methyl-1-isoquinolyl)-1,2,4-triazole-3-carboxamide CAS Name: 5-(3-amino-1-piperidinyl)-4-but-2-ynyl-N-methyl-N-(3-methyl-1-isoquinolinyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-(3-methylisoquinolin-1-yl)-1,2,4-triazole-3-carboxamide Traditional Name: 5-(3-aminopiperidino)-4-but-2-ynyl-N-methyl-N-(3-methyl-1-isoquinolyl)-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)N(C)C3=NC(=CC4=CC=CC=C43)C

Isomeric SMILES

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)N(C)C3=NC(=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H27N7O/c1-4-5-13-30-21(26-27-23(30)29-12-8-10-18(24)15-29)22(31)28(3)20-19-11-7-6-9-17(19)14-16(2)25-20/h6-7,9,11,14,18H,8,10,12-13,15,24H2,1-3H3