N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-(1-piperidylmethyl)furan-2-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-5-(1-piperidinylmethyl)-2-furancarboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-(piperidinomethyl)-2-furamide Formula: C21H23BrN4O3 MolecularWeight: 459.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(O2)C(=O)NC3=CN(N=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(O2)C(=O)NC3=CN(N=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4O3/c22-16-4-6-18(7-5-16)28-15-26-13-17(12-23-26)24-21(27)20-9-8-19(29-20)14-25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,14-15H2,(H,24,27)