2-[[8-bromanyl-5-methyl-4-oxidanylidene-6-[(phenylmethyl)amino]-3,1-benzoxazin-2-yl]amino]-N-methyl-3-phenyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[[8-bromanyl-5-methyl-4-oxidanylidene-6-[(phenylmethyl)amino]-3,1-benzoxazin-2-yl]amino]-N-methyl-3-phenyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[6-(benzylamino)-8-bromo-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-N-methyl-3-phenyl-propanamide CAS Name: 2-[[8-bromo-5-methyl-4-oxo-6-[(phenylmethyl)amino]-3,1-benzoxazin-2-yl]amino]-N-methyl-3-phenyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[6-(benzylamino)-8-bromo-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-N-methyl-3-phenylpropanamide Traditional Name: N-benzyl-2-[[6-(benzylamino)-8-bromo-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]-N-methyl-3-phenyl-propionamide Formula: C33H31BrN4O3 MolecularWeight: 611.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1NCC3=CC=CC=C3)Br)N=C(OC2=O)NC(CC4=CC=CC=C4)C(=O)N(C)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=C1NCC3=CC=CC=C3)Br)N=C(OC2=O)NC(CC4=CC=CC=C4)C(=O)N(C)CC5=CC=CC=C5

InChI

InChI=1S/C33H31BrN4O3/c1-22-27(35-20-24-14-8-4-9-15-24)19-26(34)30-29(22)32(40)41-33(37-30)36-28(18-23-12-6-3-7-13-23)31(39)38(2)21-25-16-10-5-11-17-25/h3-17,19,28,35H,18,20-21H2,1-2H3,(H,36,37)