3-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl]phthalazine-1-carboxylate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-3-13(2)14-8-10-15(11-9-14)22-18(25)12-24-20(26)17-7-5-4-6-16(17)19(23-24)21(27)28/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,27,28)/p-1/t13-/m0/s1