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

Systemtic Name: 3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[3-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C29H26ClN3O4 MolecularWeight: 515.98744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H26ClN3O4/c30-25-26(31-21-10-8-9-20(19-21)27(34)32-17-6-1-2-7-18-32)29(36)33(28(25)35)22-13-15-24(16-14-22)37-23-11-4-3-5-12-23/h3-5,8-16,19,31H,1-2,6-7,17-18H2