2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-7-methyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-7-methyl-5-(6-phenanthridinylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-7-methyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-7-methyl-5-(phenanthridin-6-ylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C29H29N7O MolecularWeight: 491.58686

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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)C)N=C1N6CCCC(C6)N

Isomeric SMILES

CC#CCN1C2=C(C(=NN(C2=O)CC3=NC4=CC=CC=C4C5=CC=CC=C53)C)N=C1N6CCC[C@H](C6)N

InChI

InChI=1S/C29H29N7O/c1-3-4-16-35-27-26(32-29(35)34-15-9-10-20(30)17-34)19(2)33-36(28(27)37)18-25-23-13-6-5-11-21(23)22-12-7-8-14-24(22)31-25/h5-8,11-14,20H,9-10,15-18,30H2,1-2H3/t20-/m1/s1