4-butan-2-yl-7-phenyl-3H-azepino[3,4-c]isoquinolin-5-one

Systemtic Name: 4-butan-2-yl-7-phenyl-3H-azepino[3,4-c]isoquinolin-5-one Openeye Name: 7-phenyl-4-sec-butyl-3H-azepino[3,4-c]isoquinolin-5-one CAS Name: 4-butan-2-yl-7-phenyl-3H-azepino[3,4-c]isoquinolin-5-one IUPAC Name: 4-butan-2-yl-7-phenyl-3H-azepino[3,4-c]isoquinolin-5-one Traditional Name: 7-phenyl-4-sec-butyl-3H-azepin[3,4-c]isoquinolin-5-one Formula: C23H22N2O MolecularWeight: 342.43358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC=CC2=C(C1=O)N=C(C3=CC=CC=C23)C4=CC=CC=C4

Isomeric SMILES

CCC(C)N1CC=CC2=C(C1=O)N=C(C3=CC=CC=C23)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-14,16H,3,15H2,1-2H3