ethyl 1-(4-cyanophenyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxidanylidene-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-cyanophenyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxidanylidene-pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-cyanophenyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxo-pyrazole-4-carboxylate CAS Name: 1-(4-cyanophenyl)-2-methyl-3-[4-(4-methyl-1-piperazinyl)phenyl]-5-oxo-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanophenyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrazole-4-carboxylate Traditional Name: 1-(4-cyanophenyl)-5-keto-2-methyl-3-[4-(4-methylpiperazino)phenyl]-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H27N5O3/c1-4-33-25(32)22-23(19-7-11-20(12-8-19)29-15-13-27(2)14-16-29)28(3)30(24(22)31)21-9-5-18(17-26)6-10-21/h5-12H,4,13-16H2,1-3H3