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

Systemtic Name: ethyl 5-azanyl-1-[4-(3-ethoxypropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(3-ethoxypropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(3-ethoxypropylamino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(3-ethoxypropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-(3-ethoxypropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)N

Isomeric SMILES

CCOCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)N

InChI

InChI=1S/C18H24N4O4/c1-3-25-11-5-10-20-17(23)13-6-8-14(9-7-13)22-16(19)15(12-21-22)18(24)26-4-2/h6-9,12H,3-5,10-11,19H2,1-2H3,(H,20,23)