dimethyl 3-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[(3,4-dichlorophenyl)methylamino]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(3,4-dichlorophenyl)methylcarbamoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(3,4-dichlorobenzyl)carbamoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H20Cl2N4O5 MolecularWeight: 443.2812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4O5/c1-28-16(25)6-13(7-17(26)29-2)24-10-12(9-22-24)23-18(27)21-8-11-3-4-14(19)15(20)5-11/h3-5,9-10,13H,6-8H2,1-2H3,(H2,21,23,27)