ethyl 5-methyl-1-[4-[(3-methyl-2-morpholin-4-yl-butyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[(3-methyl-2-morpholin-4-yl-butyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(3-methyl-2-morpholino-butyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[[3-methyl-2-(4-morpholinyl)butyl]amino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(3-methyl-2-morpholino-butyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC(C(C)C)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC(C(C)C)N3CCOCC3)C

InChI

InChI=1S/C23H32N4O4/c1-5-31-23(29)20-14-25-27(17(20)4)19-8-6-18(7-9-19)22(28)24-15-21(16(2)3)26-10-12-30-13-11-26/h6-9,14,16,21H,5,10-13,15H2,1-4H3,(H,24,28)