3-(azepan-1-yl)-4-chloranyl-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-benzyl-4-chloro-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-benzyl-4-chloropyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-benzyl-4-chloro-3-pyrroline-2,5-quinone Formula: C17H19ClN2O2 MolecularWeight: 318.79796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O2/c18-14-15(19-10-6-1-2-7-11-19)17(22)20(16(14)21)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2