bis[4-[[1,5-bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-3-piperazin-1-yl-furan-2-yl]methanone

Systemtic Name: bis[4-[[1,5-bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-3-piperazin-1-yl-furan-2-yl]methanone Openeye Name: bis[4-[[1,5-bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-3-piperazin-1-yl-2-furyl]methanone CAS Name: bis[4-[[1,5-bis(4-chlorophenyl)-2-methyl-3-pyrrolyl]methyl]-3-(1-piperazinyl)-2-furanyl]methanone IUPAC Name: bis[4-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-3-piperazin-1-ylfuran-2-yl]methanone Traditional Name: bis[4-[[1,5-bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-3-piperazino-2-furyl]methanone Formula: C53H48Cl4N6O3 MolecularWeight: 958.79862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CC4=COC(=C4N5CCNCC5)C(=O)C6=C(C(=CO6)CC7=C(N(C(=C7)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)C)N1CCNCC1

Isomeric SMILES

CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CC4=COC(=C4N5CCNCC5)C(=O)C6=C(C(=CO6)CC7=C(N(C(=C7)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)C)N1CCNCC1

InChI

InChI=1S/C53H48Cl4N6O3/c1-33-37(29-47(35-3-7-41(54)8-4-35)62(33)45-15-11-43(56)12-16-45)27-39-31-65-52(49(39)60-23-19-58-20-24-60)51(64)53-50(61-25-21-59-22-26-61)40(32-66-53)28-38-30-48(36-5-9-42(55)10-6-36)63(34(38)2)46-17-13-44(57)14-18-46/h3-18,29-32,58-59H,19-28H2,1-2H3