3-chloranyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(3-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-[4-(2-hydroxyethyl)piperazino]-1-(3-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CCO

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)CCO

InChI

InChI=1S/C17H20ClN3O4/c1-25-13-4-2-3-12(11-13)21-16(23)14(18)15(17(21)24)20-7-5-19(6-8-20)9-10-22/h2-4,11,22H,5-10H2,1H3