[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3,5-bis[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl]phenyl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3,5-bis[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl]phenyl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[3,5-bis[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: [3,5-bis(4-piperonylpiperazine-1-carbonyl)phenyl]-(4-piperonylpiperazino)methanone Formula: C45H48N6O9 MolecularWeight: 816.89742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC(=C4)C(=O)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1

InChI

InChI=1S/C45H48N6O9/c52-43(49-13-7-46(8-14-49)25-31-1-4-37-40(19-31)58-28-55-37)34-22-35(44(53)50-15-9-47(10-16-50)26-32-2-5-38-41(20-32)59-29-56-38)24-36(23-34)45(54)51-17-11-48(12-18-51)27-33-3-6-39-42(21-33)60-30-57-39/h1-6,19-24H,7-18,25-30H2