5-[(4-bromanylnaphthalen-1-yl)methyl]-3-but-2-ynyl-2-(1,4-diazepan-1-yl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 5-[(4-bromanylnaphthalen-1-yl)methyl]-3-but-2-ynyl-2-(1,4-diazepan-1-yl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 5-[(4-bromo-1-naphthyl)methyl]-3-but-2-ynyl-2-(1,4-diazepan-1-yl)imidazo[4,5-d]pyridazin-4-one CAS Name: 5-[(4-bromo-1-naphthalenyl)methyl]-3-but-2-ynyl-2-(1,4-diazepan-1-yl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 5-[(4-bromonaphthalen-1-yl)methyl]-3-but-2-ynyl-2-(1,4-diazepan-1-yl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 5-[(4-bromo-1-naphthyl)methyl]-3-but-2-ynyl-2-(1,4-diazepan-1-yl)imidazo[4,5-d]pyridazin-4-one Formula: C25H25BrN6O MolecularWeight: 505.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)Br)N=C1N5CCCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=C(C4=CC=CC=C34)Br)N=C1N5CCCNCC5

InChI

InChI=1S/C25H25BrN6O/c1-2-3-14-31-23-22(29-25(31)30-13-6-11-27-12-15-30)16-28-32(24(23)33)17-18-9-10-21(26)20-8-5-4-7-19(18)20/h4-5,7-10,16,27H,6,11-15,17H2,1H3