5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-quinolin-6-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: 5-(3-azanylpiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-quinolin-6-yl-1,2,4-triazole-3-carboxamide Openeye Name: 5-(3-amino-1-piperidyl)-4-but-2-ynyl-N-methyl-N-(6-quinolyl)-1,2,4-triazole-3-carboxamide CAS Name: 5-(3-amino-1-piperidinyl)-4-but-2-ynyl-N-methyl-N-(6-quinolinyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-methyl-N-quinolin-6-yl-1,2,4-triazole-3-carboxamide Traditional Name: 5-(3-aminopiperidino)-4-but-2-ynyl-N-methyl-N-(6-quinolyl)-1,2,4-triazole-3-carboxamide Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)N(C)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC#CCN1C(=NN=C1N2CCCC(C2)N)C(=O)N(C)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H25N7O/c1-3-4-13-29-20(25-26-22(29)28-12-6-8-17(23)15-28)21(30)27(2)18-9-10-19-16(14-18)7-5-11-24-19/h5,7,9-11,14,17H,6,8,12-13,15,23H2,1-2H3