ethyl 5-azanyl-1-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[3-(1-pyrrolidinyl)butylamino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(3-pyrrolidin-1-ylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(3-pyrrolidinobutylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC(C)N3CCCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCC(C)N3CCCC3)N

InChI

InChI=1S/C21H29N5O3/c1-3-29-21(28)18-14-24-26(19(18)22)17-8-6-16(7-9-17)20(27)23-11-10-15(2)25-12-4-5-13-25/h6-9,14-15H,3-5,10-13,22H2,1-2H3,(H,23,27)