3-chloranyl-1-(phenylmethyl)-4-[(4-pyrrolidin-1-ylcarbonylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(phenylmethyl)-4-[(4-pyrrolidin-1-ylcarbonylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[4-(pyrrolidine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-[oxo(1-pyrrolidinyl)methyl]anilino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[4-(pyrrolidine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-[4-(pyrrolidine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c23-18-19(22(29)26(21(18)28)14-15-6-2-1-3-7-15)24-17-10-8-16(9-11-17)20(27)25-12-4-5-13-25/h1-3,6-11,24H,4-5,12-14H2