ethyl 5-azanyl-1-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(3-morpholinopropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(3-morpholinopropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)N

InChI

InChI=1S/C20H27N5O4/c1-2-29-20(27)17-14-23-25(18(17)21)16-6-4-15(5-7-16)19(26)22-8-3-9-24-10-12-28-13-11-24/h4-7,14H,2-3,8-13,21H2,1H3,(H,22,26)