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

Systemtic Name: N-[(1S)-1-naphthalen-1-ylethyl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[(1S)-1-(1-naphthyl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(1S)-1-(1-naphthalenyl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(1S)-1-naphthalen-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[(1S)-1-(1-naphthyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C26H25N3O2 MolecularWeight: 411.4956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

InChI

InChI=1S/C26H25N3O2/c1-17(20-11-7-9-18-8-4-5-10-21(18)20)27-25(30)19-13-14-22-23(16-19)28-24-12-3-2-6-15-29(24)26(22)31/h4-5,7-11,13-14,16-17H,2-3,6,12,15H2,1H3,(H,27,30)/t17-/m0/s1