5-(azepan-1-ylcarbonyl)-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 5-(azepane-1-carbonyl)-2-benzyl-isoindoline-1,3-dione CAS Name: 5-[1-azepanyl(oxo)methyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 5-(azepane-1-carbonyl)-2-benzylisoindole-1,3-dione Traditional Name: 5-(azepane-1-carbonyl)-2-benzyl-isoindoline-1,3-quinone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c25-20(23-12-6-1-2-7-13-23)17-10-11-18-19(14-17)22(27)24(21(18)26)15-16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2