3-methoxy-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide

Systemtic Name: 3-methoxy-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Openeye Name: 3-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide CAS Name: 3-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide IUPAC Name: 3-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Traditional Name: N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-methoxy-benzamide Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O

InChI

InChI=1S/C21H21N3O3/c1-27-16-7-5-6-14(12-16)20(25)22-15-9-10-18-17(13-15)21(26)24-11-4-2-3-8-19(24)23-18/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,22,25)