2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)acetamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H24BrN3O3/c23-17-6-7-19-20(12-17)29-15-22(28)26(19)14-21(27)24-18-8-10-25(11-9-18)13-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,24,27)