N-[3-[(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)carbamoylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)carbamoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]carbamoylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]amino]-oxomethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]carbamoylamino]phenyl]-2-furamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C(CN1C=CN=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H25N5O3/c1-21(2,3)18(13-26-10-9-22-14-26)25-20(28)24-16-7-4-6-15(12-16)23-19(27)17-8-5-11-29-17/h4-12,14,18H,13H2,1-3H3,(H,23,27)(H2,24,25,28)