1-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-3-[2-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[(5-methylindoxazen-3-yl)methyl]-3-[2-(4-methylpiperazino)phenyl]urea Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)ON=C2CNC(=O)NC3=CC=CC=C3N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)ON=C2CNC(=O)NC3=CC=CC=C3N4CCN(CC4)C

InChI

InChI=1S/C21H25N5O2/c1-15-7-8-20-16(13-15)18(24-28-20)14-22-21(27)23-17-5-3-4-6-19(17)26-11-9-25(2)10-12-26/h3-8,13H,9-12,14H2,1-2H3,(H2,22,23,27)