2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(quinoxalin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(quinoxalin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-(quinoxalin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-(6-quinoxalinylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(quinoxalin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-(quinoxalin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C23H24N8O MolecularWeight: 428.48966

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=NC=CN=C4C=C3)N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=NC=CN=C4C=C3)N=C1N5CCCC(C5)N

InChI

InChI=1S/C23H24N8O/c1-2-3-11-30-21-20(28-23(30)29-10-4-5-17(24)15-29)13-27-31(22(21)32)14-16-6-7-18-19(12-16)26-9-8-25-18/h6-9,12-13,17H,4-5,10-11,14-15,24H2,1H3