ethyl 5-methyl-1-[4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)C

InChI

InChI=1S/C23H24N6O4/c1-3-33-23(32)19-13-26-29(15(19)2)18-7-4-16(5-8-18)22(31)27-17-6-9-20(25-12-17)28-11-10-24-21(30)14-28/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,30)(H,27,31)