4-(2,5-dimethylphenyl)-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C27H27N3O2 MolecularWeight: 425.52218

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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)C4=C(N(C(=C4)C)CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)C4=C(N(C(=C4)C)CC=C)C

InChI

InChI=1S/C27H27N3O2/c1-6-13-29-19(4)15-24(20(29)5)25(31)16-30-27(32)22-10-8-7-9-21(22)26(28-30)23-14-17(2)11-12-18(23)3/h6-12,14-15H,1,13,16H2,2-5H3