3-[3-[[bis(hydroxymethyl)amino]methyl]-1,2-benzoxazol-6-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[3-[[bis(hydroxymethyl)amino]methyl]-1,2-benzoxazol-6-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[3-[[bis(hydroxymethyl)amino]methyl]-1,2-benzoxazol-6-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[3-[[bis(hydroxymethyl)amino]methyl]-1,2-benzoxazol-6-yl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[3-[[bis(hydroxymethyl)amino]methyl]-1,2-benzoxazol-6-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[3-[(dimethylolamino)methyl]indoxazen-6-yl]-4-methyl-benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=NO4)CN(CO)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)C(=NO4)CN(CO)CO

InChI

InChI=1S/C21H23N3O4/c1-13-2-3-15(21(27)22-16-5-6-16)8-18(13)14-4-7-17-19(10-24(11-25)12-26)23-28-20(17)9-14/h2-4,7-9,16,25-26H,5-6,10-12H2,1H3,(H,22,27)