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

Systemtic Name: 3-chloranyl-4-(4-ethylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-(4-ethylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-(4-ethyl-1-piperazinyl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-(4-ethylpiperazin-1-yl)-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-ethylpiperazino)-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-2-24-12-14-25(15-13-24)20-19(23)21(27)26(22(20)28)16-8-10-18(11-9-16)29-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3