ethyl 5-azanyl-1-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(2-methyl-1-piperidyl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(2-methyl-1-piperidinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(2-methylpiperidino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCC3C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCC3C)N

InChI

InChI=1S/C22H31N5O3/c1-3-30-22(29)19-15-25-27(20(19)23)18-10-8-17(9-11-18)21(28)24-12-6-14-26-13-5-4-7-16(26)2/h8-11,15-16H,3-7,12-14,23H2,1-2H3,(H,24,28)