ethyl 5-butan-2-yl-1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-butan-2-yl-1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-[[4-(diethylamino)-1-methyl-butyl]carbamoyl]phenyl]-5-sec-butyl-pyrazole-3-carboxylate CAS Name: 5-butan-2-yl-1-[4-[[5-(diethylamino)pentan-2-ylamino]-oxomethyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butan-2-yl-1-[4-[5-(diethylamino)pentan-2-ylcarbamoyl]phenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-[[4-(diethylamino)-1-methyl-butyl]carbamoyl]phenyl]-5-sec-butyl-pyrazole-3-carboxylic acid ethyl ester Formula: C26H40N4O3 MolecularWeight: 456.6208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(C)CCCN(CC)CC)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC(=NN1C2=CC=C(C=C2)C(=O)NC(C)CCCN(CC)CC)C(=O)OCC

InChI

InChI=1S/C26H40N4O3/c1-7-19(5)24-18-23(26(32)33-10-4)28-30(24)22-15-13-21(14-16-22)25(31)27-20(6)12-11-17-29(8-2)9-3/h13-16,18-20H,7-12,17H2,1-6H3,(H,27,31)