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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethylbutanamide Traditional Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloylpiperazino)phenyl]butyramide Formula: C29H37N5O5 MolecularWeight: 535.63458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N5O5/c1-29(2,3)18-26(35)31-22-16-20(27(36)33-10-8-30-9-11-33)4-6-23(22)32-12-14-34(15-13-32)28(37)21-5-7-24-25(17-21)39-19-38-24/h4-7,16-17,30H,8-15,18-19H2,1-3H3,(H,31,35)