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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(1-azepanyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(azepan-1-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(azepan-1-yl)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)NCCCN3CCCCCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCCCCC3)N

InChI

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