N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O3/c22-16-9-7-15(8-10-16)14-26-19(11-12-23-26)24-20(27)6-3-13-25-17-4-1-2-5-18(17)29-21(25)28/h1-2,4-5,7-12H,3,6,13-14H2,(H,24,27)