3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-[3-(azepane-1-carbonyl)anilino]-1-benzyl-4-chloro-pyrrole-2,5-dione CAS Name: 3-[3-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-[3-(azepane-1-carbonyl)anilino]-1-benzyl-4-chloropyrrole-2,5-dione Traditional Name: 3-[3-(azepane-1-carbonyl)anilino]-1-benzyl-4-chloro-3-pyrroline-2,5-quinone Formula: C24H24ClN3O3 MolecularWeight: 437.91866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H24ClN3O3/c25-20-21(24(31)28(23(20)30)16-17-9-4-3-5-10-17)26-19-12-8-11-18(15-19)22(29)27-13-6-1-2-7-14-27/h3-5,8-12,15,26H,1-2,6-7,13-14,16H2