3-(azepan-1-yl)-1-[2-[3-(azepan-1-yl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]-4-chloranyl-pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-1-[2-[3-(azepan-1-yl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]-4-chloranyl-pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-1-[2-[3-(azepan-1-yl)-4-chloro-2,5-dioxo-pyrrol-1-yl]phenyl]-4-chloro-pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-1-[2-[3-(1-azepanyl)-4-chloro-2,5-dioxo-1-pyrrolyl]phenyl]-4-chloropyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-1-[2-[3-(azepan-1-yl)-4-chloro-2,5-dioxopyrrol-1-yl]phenyl]-4-chloropyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-1-[2-[3-(azepan-1-yl)-4-chloro-2,5-diketo-3-pyrrolin-1-yl]phenyl]-4-chloro-3-pyrroline-2,5-quinone Formula: C26H28Cl2N4O4 MolecularWeight: 531.43092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3N4C(=O)C(=C(C4=O)Cl)N5CCCCCC5)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3N4C(=O)C(=C(C4=O)Cl)N5CCCCCC5)Cl

InChI

InChI=1S/C26H28Cl2N4O4/c27-19-21(29-13-7-1-2-8-14-29)25(35)31(23(19)33)17-11-5-6-12-18(17)32-24(34)20(28)22(26(32)36)30-15-9-3-4-10-16-30/h5-6,11-12H,1-4,7-10,13-16H2