methyl 5-azanyl-1-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(2-pyrrolidinoethylcarbamoyl)phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCCC3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCN3CCCC3)N

InChI

InChI=1S/C18H23N5O3/c1-26-18(25)15-12-21-23(16(15)19)14-6-4-13(5-7-14)17(24)20-8-11-22-9-2-3-10-22/h4-7,12H,2-3,8-11,19H2,1H3,(H,20,24)