1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-morpholino-1-piperidyl)phenyl]-5-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-5-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrrole-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-morpholinopiperidino)phenyl]-5-methyl-pyrrole-3-carboxamide Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN1C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)N5CCC(CC5)N6CCOCC6)C#N

Isomeric SMILES

CC1=CC(=CN1C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=C(C=C4)N5CCC(CC5)N6CCOCC6)C#N

InChI

InChI=1S/C29H31N5O4/c1-20-14-22(18-34(20)25-3-5-27-28(16-25)38-19-37-27)29(35)31-23-2-4-26(21(15-23)17-30)33-8-6-24(7-9-33)32-10-12-36-13-11-32/h2-5,14-16,18,24H,6-13,19H2,1H3,(H,31,35)