methyl 5-azanyl-1-[4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(4-cyclohexyl-1-piperazinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(4-cyclohexylpiperazino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C4CCCCC4)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCN(CC3)C4CCCCC4)N

InChI

InChI=1S/C25H36N6O3/c1-34-25(33)22-18-28-31(23(22)26)21-10-8-19(9-11-21)24(32)27-12-5-13-29-14-16-30(17-15-29)20-6-3-2-4-7-20/h8-11,18,20H,2-7,12-17,26H2,1H3,(H,27,32)