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

Systemtic Name: N-(1-methylbenzimidazol-2-yl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(1-methylbenzimidazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(1-methyl-2-benzimidazolyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(1-methylbenzimidazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(1-methylbenzimidazol-2-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

InChI

InChI=1S/C22H21N5O2/c1-26-18-8-5-4-7-16(18)24-22(26)25-20(28)14-10-11-15-17(13-14)23-19-9-3-2-6-12-27(19)21(15)29/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,24,25,28)