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

Systemtic Name: N-(2-adamantyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(2-adamantyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-adamantyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(2-adamantyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(2-adamantyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C24H29N3O2 MolecularWeight: 391.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4C5CC6CC(C5)CC4C6)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4C5CC6CC(C5)CC4C6)C(=O)N2CC1

InChI

InChI=1S/C24H29N3O2/c28-23(26-22-17-9-14-8-15(11-17)12-18(22)10-14)16-5-6-19-20(13-16)25-21-4-2-1-3-7-27(21)24(19)29/h5-6,13-15,17-18,22H,1-4,7-12H2,(H,26,28)