ethyl 3,5-dimethyl-1-[4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phenyl]pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O)C

InChI

InChI=1S/C27H29N5O4/c1-4-36-26(34)24-17(2)29-32(18(24)3)21-11-9-19(10-12-21)25(33)30-15-13-20(14-16-30)31-23-8-6-5-7-22(23)28-27(31)35/h5-12,20H,4,13-16H2,1-3H3,(H,28,35)