tert-butyl 3-[[[5-azanyl-4-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]carbamoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[[5-azanyl-4-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]carbamoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[[5-amino-4-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]carbamoylamino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[[[5-amino-4-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]amino]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[5-amino-4-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]carbamoylamino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[[5-amino-4-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]carbamoylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28Cl2N6O3 MolecularWeight: 483.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)NC2=NNC(=C2C3=CC(=C(C=C3)Cl)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CNC(=O)NC2=NNC(=C2C3=CC(=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C21H28Cl2N6O3/c1-21(2,3)32-20(31)29-8-4-5-12(11-29)10-25-19(30)26-18-16(17(24)27-28-18)13-6-7-14(22)15(23)9-13/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H5,24,25,26,27,28,30)