N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-piperonylamide Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H33N5O5/c34-26(20-5-7-24-25(17-20)38-18-37-24)30-22-16-21(28(36)32-10-1-8-29-9-11-32)4-6-23(22)31-12-14-33(15-13-31)27(35)19-2-3-19/h4-7,16-17,19,29H,1-3,8-15,18H2,(H,30,34)