4-[[furan-2-ylmethyl-[2-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[furan-2-ylmethyl-[2-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[2-furylmethyl-[2-oxo-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]amino]methyl]-N-methyl-benzamide CAS Name: 4-[[2-furanylmethyl-[2-oxo-2-[(1-phenyl-4-pyrazolyl)methylamino]ethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[furan-2-ylmethyl-[2-oxo-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]amino]methyl]-N-methylbenzamide Traditional Name: 4-[[2-furfuryl-[2-keto-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]amino]methyl]-N-methyl-benzamide Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)CC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)CC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3/c1-27-26(33)22-11-9-20(10-12-22)16-30(18-24-8-5-13-34-24)19-25(32)28-14-21-15-29-31(17-21)23-6-3-2-4-7-23/h2-13,15,17H,14,16,18-19H2,1H3,(H,27,33)(H,28,32)