methyl 4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazine-1-carboxylate

Systemtic Name: methyl 4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazine-1-carboxylate Openeye Name: methyl 4-[4-(piperidine-1-carbonyl)anilino]phthalazine-1-carboxylate CAS Name: 4-[4-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(piperidine-1-carbonyl)anilino]phthalazine-1-carboxylate Traditional Name: 4-[4-(piperidine-1-carbonyl)anilino]phthalazine-1-carboxylic acid methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=NN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H22N4O3/c1-29-22(28)19-17-7-3-4-8-18(17)20(25-24-19)23-16-11-9-15(10-12-16)21(27)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,25)