N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1-piperidylmethyl)furan-2-carboxamide CAS Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-5-(1-piperidinylmethyl)-2-furancarboxamide IUPAC Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[4-bromo-1-(2,4-dichlorobenzyl)pyrazol-3-yl]-5-(piperidinomethyl)-2-furamide Formula: C21H21BrCl2N4O2 MolecularWeight: 512.22704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(O2)C(=O)NC3=NN(C=C3Br)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(O2)C(=O)NC3=NN(C=C3Br)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21BrCl2N4O2/c22-17-13-28(11-14-4-5-15(23)10-18(14)24)26-20(17)25-21(29)19-7-6-16(30-19)12-27-8-2-1-3-9-27/h4-7,10,13H,1-3,8-9,11-12H2,(H,25,26,29)