3-azanyl-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide

Systemtic Name: 3-azanyl-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide Openeye Name: 3-amino-N-[3-[(p-tolylcarbamoylamino)methyl]phenyl]-1,2-benzoxazole-4-carboxamide CAS Name: 3-amino-N-[3-[[[(4-methylanilino)-oxomethyl]amino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide IUPAC Name: 3-amino-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]-1,2-benzoxazole-4-carboxamide Traditional Name: 3-amino-N-[3-[(p-tolylcarbamoylamino)methyl]phenyl]indoxazene-4-carboxamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)NC(=O)C3=C4C(=CC=C3)ON=C4N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)NC(=O)C3=C4C(=CC=C3)ON=C4N

InChI

InChI=1S/C23H21N5O3/c1-14-8-10-16(11-9-14)27-23(30)25-13-15-4-2-5-17(12-15)26-22(29)18-6-3-7-19-20(18)21(24)28-31-19/h2-12H,13H2,1H3,(H2,24,28)(H,26,29)(H2,25,27,30)