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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]imidazole-4-carboxamide Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-N-[(3-methyl-1-isoquinolyl)methyl]imidazole-4-carboxamide CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-N-[(3-methyl-1-isoquinolinyl)methyl]-4-imidazolecarboxamide IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]imidazole-4-carboxamide Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-N-[(3-methyl-1-isoquinolyl)methyl]imidazole-4-carboxamide Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O/c1-3-4-12-30-22(15-27-24(30)29-11-7-9-19(25)16-29)23(31)26-14-21-20-10-6-5-8-18(20)13-17(2)28-21/h5-6,8,10,13,15,19H,7,9,11-12,14,16,25H2,1-2H3,(H,26,31)