methyl 4-[[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl-methylamino]methyl]benzoate Traditional Name: 4-[[[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CN(C)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H27N3O3/c1-18-9-10-19(2)24(15-18)25-22-7-5-6-8-23(22)26(31)30(28-25)17-29(3)16-20-11-13-21(14-12-20)27(32)33-4/h5-15H,16-17H2,1-4H3