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

Systemtic Name: 3-chloranyl-1-(phenylmethyl)-4-[[3-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-[3-(4-phenylpiperazine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C28H25ClN4O3 MolecularWeight: 500.9761

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC4=C(C(=O)N(C4=O)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)NC4=C(C(=O)N(C4=O)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H25ClN4O3/c29-24-25(28(36)33(27(24)35)19-20-8-3-1-4-9-20)30-22-11-7-10-21(18-22)26(34)32-16-14-31(15-17-32)23-12-5-2-6-13-23/h1-13,18,30H,14-17,19H2