3-chloranyl-1-(4-ethoxyphenyl)-4-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-ethoxyphenyl)-4-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-ethoxyphenyl)-4-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-ethoxyphenyl)-4-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-ethoxyphenyl)-4-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-4-[3-(4-phenylpiperazine-1-carbonyl)anilino]-1-p-phenetyl-3-pyrroline-2,5-quinone Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O4/c1-2-38-24-13-11-23(12-14-24)34-28(36)25(30)26(29(34)37)31-21-8-6-7-20(19-21)27(35)33-17-15-32(16-18-33)22-9-4-3-5-10-22/h3-14,19,31H,2,15-18H2,1H3