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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(3-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(3-methyl-1-piperidyl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(3-methyl-1-piperidinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(3-methylpiperidin-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(3-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)NCCCN3CCCC(C3)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCCC(C3)C)N

InChI

InChI=1S/C22H31N5O3/c1-3-30-22(29)19-14-25-27(20(19)23)18-9-7-17(8-10-18)21(28)24-11-5-13-26-12-4-6-16(2)15-26/h7-10,14,16H,3-6,11-13,15,23H2,1-2H3,(H,24,28)