2-[3-(azepan-1-ylcarbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(azepan-1-ylcarbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(azepane-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[1-azepanyl(oxo)methyl]phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(azepane-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(azepane-1-carbonyl)phenyl]-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N2O3/c1-15-8-6-11-18-19(15)22(27)24(21(18)26)17-10-7-9-16(14-17)20(25)23-12-4-2-3-5-13-23/h6-10,14-15,18-19H,2-5,11-13H2,1H3