ethyl 1-[4-[(4-methylphenyl)amino]phthalazin-1-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-methylphenyl)amino]phthalazin-1-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-methylanilino)phthalazin-1-yl]piperidine-4-carboxylate CAS Name: 1-[4-(4-methylanilino)-1-phthalazinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methylanilino)phthalazin-1-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(p-toluidino)phthalazin-1-yl]isonipecotic acid ethyl ester Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C

InChI

InChI=1S/C23H26N4O2/c1-3-29-23(28)17-12-14-27(15-13-17)22-20-7-5-4-6-19(20)21(25-26-22)24-18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3,(H,24,25)