1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazin-1-yl)phenyl]pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(4-oxanyl)-1-piperazinyl]phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrrole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-tetrahydropyran-4-ylpiperazino)phenyl]pyrrole-3-carboxamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CN(C=C4)C5=CC6=C(C=C5)OCO6)C#N

Isomeric SMILES

C1COCCC1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CN(C=C4)C5=CC6=C(C=C5)OCO6)C#N

InChI

InChI=1S/C28H29N5O4/c29-17-21-15-22(1-3-25(21)32-11-9-31(10-12-32)23-6-13-35-14-7-23)30-28(34)20-5-8-33(18-20)24-2-4-26-27(16-24)37-19-36-26/h1-5,8,15-16,18,23H,6-7,9-14,19H2,(H,30,34)