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

Systemtic Name: 3-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl]phthalazine-1-carboxylic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)N4CCCC4

InChI

InChI=1S/C22H22N4O4/c1-14-12-15(8-9-18(14)25-10-4-5-11-25)23-19(27)13-26-21(28)17-7-3-2-6-16(17)20(24-26)22(29)30/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,27)(H,29,30)