2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-4-(2,5-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O2/c1-17-11-12-18(2)21(15-17)23-19-9-5-6-10-20(19)24(29)27(25-23)16-22(28)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3