ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-[(quinolin-3-ylmethylamino)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-[(quinolin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-methoxyphenyl)thiazol-2-yl]-5-[(3-quinolylmethylamino)methyl]pyrazole-4-carboxylate CAS Name: 1-[4-(4-methoxyphenyl)-2-thiazolyl]-5-[(3-quinolinylmethylamino)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-[(quinolin-3-ylmethylamino)methyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(4-methoxyphenyl)thiazol-2-yl]-5-[(3-quinolylmethylamino)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)CNCC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)CNCC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H25N5O3S/c1-3-35-26(33)22-15-30-32(27-31-24(17-36-27)19-8-10-21(34-2)11-9-19)25(22)16-28-13-18-12-20-6-4-5-7-23(20)29-14-18/h4-12,14-15,17,28H,3,13,16H2,1-2H3