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

Systemtic Name: ethyl 5-(6-benzamidohexanoylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(6-benzamidohexanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[(6-benzamido-1-oxohexyl)amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(6-benzamidohexanoylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(6-benzamidohexanoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O4/c1-2-37-28(36)22-19-30-33(24-17-16-20-11-8-9-14-23(20)31-24)26(22)32-25(34)15-7-4-10-18-29-27(35)21-12-5-3-6-13-21/h3,5-6,8-9,11-14,16-17,19H,2,4,7,10,15,18H2,1H3,(H,29,35)(H,32,34)