N-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-15(2)14-26-23(28)19-8-6-5-7-18(19)21(25-26)22(27)24-11-12-29-20-10-9-16(3)13-17(20)4/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,27)