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

Systemtic Name: 3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-(6-phenanthridinylmethyl)-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-(phenanthridin-6-ylmethyl)-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C27H25N7O MolecularWeight: 463.5337

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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=C1N6CCNCC6

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C5=CC=CC=C53)N=C1N6CCNCC6

InChI

InChI=1S/C27H25N7O/c1-2-3-14-33-25-23(31-27(33)32-15-12-28-13-16-32)17-29-34(26(25)35)18-24-21-10-5-4-8-19(21)20-9-6-7-11-22(20)30-24/h4-11,17,28H,12-16,18H2,1H3