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

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-chloro-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O3/c23-19-20(24-14-6-1-2-7-15-24)22(27)25(21(19)26)16-10-12-18(13-11-16)28-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-15H2