N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]phthalazine-1-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC(C)C

InChI

InChI=1S/C22H22N4O4/c1-12(2)11-26-22(29)16-7-5-4-6-15(16)19(25-26)21(28)23-14-8-9-18-17(10-14)24-20(27)13(3)30-18/h4-10,12-13H,11H2,1-3H3,(H,23,28)(H,24,27)/t13-/m0/s1