methyl 5-azanyl-1-[4-[2-[cyclohexyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[2-[cyclohexyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[2-[cyclohexyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[2-[cyclohexyl(methyl)amino]ethylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[2-[cyclohexyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[2-[cyclohexyl(methyl)amino]ethylcarbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N)C3CCCCC3

Isomeric SMILES

CN(CCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OC)N)C3CCCCC3

InChI

InChI=1S/C21H29N5O3/c1-25(16-6-4-3-5-7-16)13-12-23-20(27)15-8-10-17(11-9-15)26-19(22)18(14-24-26)21(28)29-2/h8-11,14,16H,3-7,12-13,22H2,1-2H3,(H,23,27)