methyl N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate

Systemtic Name: methyl N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]carbamate Openeye Name: methyl N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloylpiperazino)phenyl]carbamic acid methyl ester Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N5O6/c1-34-25(33)27-19-14-17(23(31)29-8-6-26-7-9-29)2-4-20(19)28-10-12-30(13-11-28)24(32)18-3-5-21-22(15-18)36-16-35-21/h2-5,14-15,26H,6-13,16H2,1H3,(H,27,33)