2-[2-(4-cyclohexyl-3-oxidanylidene-6-phenylmethoxy-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[2-(4-cyclohexyl-3-oxidanylidene-6-phenylmethoxy-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-(6-benzyloxy-4-cyclohexyl-3-oxo-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-(4-cyclohexyl-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl)-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-(4-cyclohexyl-3-oxo-6-phenylmethoxy-1,4-diazepan-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-(6-benzoxy-4-cyclohexyl-3-keto-1,4-diazepan-1-yl)-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CC(CN(C(=O)C3)C4CCCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O4/c1-21-25-14-8-9-15-26(25)29(36)33(30-21)19-27(34)31-16-24(37-20-22-10-4-2-5-11-22)17-32(28(35)18-31)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,23-24H,3,6-7,12-13,16-20H2,1H3