3-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(1-azepanyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H24N4O4/c28-20(24-16-9-11-17(12-10-16)26-13-5-1-2-6-14-26)15-27-22(29)19-8-4-3-7-18(19)21(25-27)23(30)31/h3-4,7-12H,1-2,5-6,13-15H2,(H,24,28)(H,30,31)