2-[3-[5-[[2,3-bis(chloranyl)phenyl]carbamoylamino]-3-cyclopentyl-pyrazol-1-yl]phenyl]-N-[2,3-bis(oxidanyl)propyl]ethanamide

Systemtic Name: 2-[3-[5-[[2,3-bis(chloranyl)phenyl]carbamoylamino]-3-cyclopentyl-pyrazol-1-yl]phenyl]-N-[2,3-bis(oxidanyl)propyl]ethanamide Openeye Name: 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-N-(2,3-dihydroxypropyl)acetamide CAS Name: 2-[3-[3-cyclopentyl-5-[[(2,3-dichloroanilino)-oxomethyl]amino]-1-pyrazolyl]phenyl]-N-(2,3-dihydroxypropyl)acetamide IUPAC Name: 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-N-(2,3-dihydroxypropyl)acetamide Traditional Name: 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]-N-glyceryl-acetamide Formula: C26H29Cl2N5O4 MolecularWeight: 546.44556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN(C(=C2)NC(=O)NC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC(=C4)CC(=O)NCC(CO)O

Isomeric SMILES

C1CCC(C1)C2=NN(C(=C2)NC(=O)NC3=C(C(=CC=C3)Cl)Cl)C4=CC=CC(=C4)CC(=O)NCC(CO)O

InChI

InChI=1S/C26H29Cl2N5O4/c27-20-9-4-10-21(25(20)28)30-26(37)31-23-13-22(17-6-1-2-7-17)32-33(23)18-8-3-5-16(11-18)12-24(36)29-14-19(35)15-34/h3-5,8-11,13,17,19,34-35H,1-2,6-7,12,14-15H2,(H,29,36)(H2,30,31,37)