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

Systemtic Name: ethyl 5-azanyl-1-[4-[3-(diethylamino)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[3-(diethylamino)propylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[3-(diethylamino)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[3-(diethylamino)propylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[3-(diethylamino)propylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)N

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)N

InChI

InChI=1S/C20H29N5O3/c1-4-24(5-2)13-7-12-22-19(26)15-8-10-16(11-9-15)25-18(21)17(14-23-25)20(27)28-6-3/h8-11,14H,4-7,12-13,21H2,1-3H3,(H,22,26)