N-[3-[ethyl-(3-methylphenyl)amino]propyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-3-(4-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(N-ethyl-3-methylanilino)propyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(N-ethyl-3-methylanilino)propyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-4-keto-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C

Isomeric SMILES

CCN(CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C

InChI

InChI=1S/C28H30N4O3/c1-4-31(22-10-7-9-20(2)19-22)18-8-17-29-27(33)26-24-11-5-6-12-25(24)28(34)32(30-26)21-13-15-23(35-3)16-14-21/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,29,33)