2-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C18H22N4O3/c1-13-15-6-3-4-7-16(15)18(25)22(19-13)12-17(24)21-9-5-8-20(10-11-21)14(2)23/h3-4,6-7H,5,8-12H2,1-2H3