5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide CAS Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[1-(4-pyrimidinyl)ethyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-[1-(4-pyrimidyl)ethyl]-1H-pyrazole-3-carboxamide Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=NNC(=C2)COC3=C(C=C(C=C3)OC)Cl

Isomeric SMILES

CC(C1=NC=NC=C1)NC(=O)C2=NNC(=C2)COC3=C(C=C(C=C3)OC)Cl

InChI

InChI=1S/C18H18ClN5O3/c1-11(15-5-6-20-10-21-15)22-18(25)16-7-12(23-24-16)9-27-17-4-3-13(26-2)8-14(17)19/h3-8,10-11H,9H2,1-2H3,(H,22,25)(H,23,24)