2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-quinolin-3-yl-imidazole-4-carboxamide

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-quinolin-3-yl-imidazole-4-carboxamide Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-N-methyl-N-(3-quinolyl)imidazole-4-carboxamide CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-N-methyl-N-(3-quinolinyl)-4-imidazolecarboxamide IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-N-methyl-N-quinolin-3-ylimidazole-4-carboxamide Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-N-methyl-N-(3-quinolyl)imidazole-4-carboxamide Formula: C23H26N6O MolecularWeight: 402.49214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=CN=C1N2CCCC(C2)N)C(=O)N(C)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC#CCN1C(=CN=C1N2CCCC(C2)N)C(=O)N(C)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H26N6O/c1-3-4-12-29-21(15-26-23(29)28-11-7-9-18(24)16-28)22(30)27(2)19-13-17-8-5-6-10-20(17)25-14-19/h5-6,8,10,13-15,18H,7,9,11-12,16,24H2,1-2H3