2-[4-(azepan-1-ylcarbonyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(azepane-1-carbonyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-[1-azepanyl(oxo)methyl]phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(azepane-1-carbonyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(azepane-1-carbonyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

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