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

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-(6-phenanthridinylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C28H27N7O MolecularWeight: 477.56028

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C5=CC=CC=C53)N=C1N6CCCC(C6)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C5=CC=CC=C53)N=C1N6CCCC(C6)N

InChI

InChI=1S/C28H27N7O/c1-2-3-15-34-26-24(32-28(34)33-14-8-9-19(29)17-33)16-30-35(27(26)36)18-25-22-12-5-4-10-20(22)21-11-6-7-13-23(21)31-25/h4-7,10-13,16,19H,8-9,14-15,17-18,29H2,1H3