[4-(4-tert-butylphenyl)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclopropyl-methanone

Systemtic Name: [4-(4-tert-butylphenyl)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclopropyl-methanone Openeye Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclopropyl-methanone CAS Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-4-pyrazolyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-cyclopropylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone Traditional Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-cyclopropyl-methanone Formula: C33H40ClN5O3S MolecularWeight: 622.2204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(C(C(N2C(=O)C3CC3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C2C(C(C(N2C(=O)C3CC3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6)Cl)C

InChI

InChI=1S/C33H40ClN5O3S/c1-19-24(30(34)37(5)36-19)27-26(29(40)23-7-6-18-43-23)25(20-10-12-22(13-11-20)33(2,3)4)28(39(27)31(41)21-8-9-21)32(42)38-16-14-35-15-17-38/h6-7,10-13,18,21,25-28,35H,8-9,14-17H2,1-5H3