2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(phenanthren-9-ylmethyl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-(3-azanylpiperidin-1-yl)-3-but-2-ynyl-5-(phenanthren-9-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-(3-amino-1-piperidyl)-3-but-2-ynyl-5-(9-phenanthrylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-(3-amino-1-piperidinyl)-3-but-2-ynyl-5-(9-phenanthrenylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(phenanthren-9-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-(3-aminopiperidino)-3-but-2-ynyl-5-(9-phenanthrylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C29H28N6O MolecularWeight: 476.57222

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C5=CC=CC=C53)N=C1N6CCCC(C6)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C5=CC=CC=C53)N=C1N6CCCC(C6)N

InChI

InChI=1S/C29H28N6O/c1-2-3-15-34-27-26(32-29(34)33-14-8-10-22(30)19-33)17-31-35(28(27)36)18-21-16-20-9-4-5-11-23(20)25-13-7-6-12-24(21)25/h4-7,9,11-13,16-17,22H,8,10,14-15,18-19,30H2,1H3