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

Systemtic Name: 3-chloranyl-1-(phenylmethyl)-4-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methylamino]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methylamino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-[[4-(4-phenylpiperazine-1-carbonyl)benzyl]amino]-3-pyrroline-2,5-quinone Formula: C29H27ClN4O3 MolecularWeight: 515.00268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC4=C(C(=O)N(C4=O)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CNC4=C(C(=O)N(C4=O)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H27ClN4O3/c30-25-26(29(37)34(28(25)36)20-22-7-3-1-4-8-22)31-19-21-11-13-23(14-12-21)27(35)33-17-15-32(16-18-33)24-9-5-2-6-10-24/h1-14,31H,15-20H2