3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(4-butylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(4-butylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-butylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(4-butylanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

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