N-(4-bromophenyl)-N-methyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-N-methyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(4-bromophenyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(4-bromophenyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(4-bromophenyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(4-bromophenyl)-12-keto-N-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Br)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CN(C1=CC=C(C=C1)Br)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C21H20BrN3O2/c1-24(16-9-7-15(22)8-10-16)20(26)14-6-11-17-18(13-14)23-19-5-3-2-4-12-25(19)21(17)27/h6-11,13H,2-5,12H2,1H3