azepan-1-yl-(3-phenylcinnolin-4-yl)methanone

Systemtic Name: azepan-1-yl-(3-phenylcinnolin-4-yl)methanone Openeye Name: azepan-1-yl-(3-phenylcinnolin-4-yl)methanone CAS Name: 1-azepanyl-(3-phenyl-4-cinnolinyl)methanone IUPAC Name: azepan-1-yl-(3-phenylcinnolin-4-yl)methanone Traditional Name: azepan-1-yl-(3-phenylcinnolin-4-yl)methanone Formula: C21H21N3O MolecularWeight: 331.41094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c25-21(24-14-8-1-2-9-15-24)19-17-12-6-7-13-18(17)22-23-20(19)16-10-4-3-5-11-16/h3-7,10-13H,1-2,8-9,14-15H2