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

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-(3-morpholinopropylcarbamoyl)phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[[3-(4-morpholinyl)propylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-[4-(3-morpholinopropylcarbamoyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NCCCN3CCOCC3)C

InChI

InChI=1S/C22H30N4O4/c1-4-30-22(28)20-16(2)24-26(17(20)3)19-8-6-18(7-9-19)21(27)23-10-5-11-25-12-14-29-15-13-25/h6-9H,4-5,10-15H2,1-3H3,(H,23,27)