ethyl 5-(6-benzamidohexanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(6-benzamidohexanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-(6-benzamidohexanoylamino)-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(6-benzamido-1-oxohexyl)amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6-benzamidohexanoylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-(6-benzamidohexanoylamino)-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)CCCCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)CCCCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H31N5O4/c1-3-38-29(37)23-19-31-34(25-18-20(2)22-14-9-10-15-24(22)32-25)27(23)33-26(35)16-8-5-11-17-30-28(36)21-12-6-4-7-13-21/h4,6-7,9-10,12-15,18-19H,3,5,8,11,16-17H2,1-2H3,(H,30,36)(H,33,35)