[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C26H29N5O3/c1-18-19(2)31(22-10-6-7-11-22)26(23(18)14-27)29-24(32)17-34-25(33)13-12-20-15-28-30(16-20)21-8-4-3-5-9-21/h3-5,8-9,15-16,22H,6-7,10-13,17H2,1-2H3,(H,29,32)