1-butyl-1-[methyl-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]-3-phenyl-urea

Systemtic Name: 1-butyl-1-[methyl-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]-3-phenyl-urea Openeye Name: 1-butyl-1-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-phenyl-urea CAS Name: 1-butyl-1-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-phenylurea IUPAC Name: 1-butyl-1-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-phenylurea Traditional Name: 1-butyl-1-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-methyl-amino]-3-phenyl-urea Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)NC1=CC=CC=C1)N(C)C2=CC3=C(C=C2)OC(C(=O)N3)C

Isomeric SMILES

CCCCN(C(=O)NC1=CC=CC=C1)N(C)C2=CC3=C(C=C2)OC(C(=O)N3)C

InChI

InChI=1S/C21H26N4O3/c1-4-5-13-25(21(27)22-16-9-7-6-8-10-16)24(3)17-11-12-19-18(14-17)23-20(26)15(2)28-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,27)(H,23,26)