[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H23N3O4/c1-2-3-6-15-9-11-16(12-10-15)23-20(26)14-29-21(27)13-19-17-7-4-5-8-18(17)22(28)25-24-19/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)(H,25,28)