1-[2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-4-(4-chlorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-4-(4-chlorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-4-(4-chlorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[2-(5-chloro-1,3-dimethyl-4-pyrazolyl)-4-(4-chlorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(4-chlorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-4-(4-chlorophenyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-2-methoxy-ethanone Formula: C28H31Cl2N5O4S MolecularWeight: 604.54784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(C(C(N2C(=O)COC)C(=O)N3CCNCC3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C2C(C(C(N2C(=O)COC)C(=O)N3CCNCC3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5)Cl)C

InChI

InChI=1S/C28H31Cl2N5O4S/c1-16-21(27(30)33(2)32-16)24-23(26(37)19-5-4-14-40-19)22(17-6-8-18(29)9-7-17)25(35(24)20(36)15-39-3)28(38)34-12-10-31-11-13-34/h4-9,14,22-25,31H,10-13,15H2,1-3H3