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

Systemtic Name: N-[2-(4-methylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[2-(4-methylphenoxy)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(4-methylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-methylphenoxy)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[2-(4-methylphenoxy)ethyl]phthalazine-1-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-15(2)14-25-22(27)19-7-5-4-6-18(19)20(24-25)21(26)23-12-13-28-17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)