N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3-(4-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(sec-butylamino)ethyl]phthalazine-1-carboxamide CAS Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(sec-butylamino)ethyl]-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24N4O4/c1-4-14(2)24-19(27)13-23-21(28)20-17-7-5-6-8-18(17)22(29)26(25-20)15-9-11-16(30-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,23,28)(H,24,27)