N-[(3-bromophenyl)methyl]-1-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-[(3-bromophenyl)methyl]-1-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-1-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-bromobenzyl)-1-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)isonipecotamide Formula: C24H28BrN3O3 MolecularWeight: 486.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1CN(C2=C(O1)C=CC(=C2)C)C(=O)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H28BrN3O3/c1-16-6-7-22-21(12-16)28(15-17(2)31-22)24(30)27-10-8-19(9-11-27)23(29)26-14-18-4-3-5-20(25)13-18/h3-7,12-13,17,19H,8-11,14-15H2,1-2H3,(H,26,29)