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

Systemtic Name: 1-[(3-azanyl-2-methyl-2H-1,4-benzoxazin-6-yl)-methyl-amino]-1-butyl-3-phenyl-urea Openeye Name: 1-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-methyl-amino]-1-butyl-3-phenyl-urea CAS Name: 1-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-methylamino]-1-butyl-3-phenylurea IUPAC Name: 1-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-methylamino]-1-butyl-3-phenylurea Traditional Name: 1-[(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)-methyl-amino]-1-butyl-3-phenyl-urea Formula: C21H27N5O2 MolecularWeight: 381.47138

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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(=N3)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-4-5-13-26(21(27)23-16-9-7-6-8-10-16)25(3)17-11-12-19-18(14-17)24-20(22)15(2)28-19/h6-12,14-15H,4-5,13H2,1-3H3,(H2,22,24)(H,23,27)