4-cyano-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-pyrrol-1-yl-furan-3-carboxamide

Systemtic Name: 4-cyano-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-pyrrol-1-yl-furan-3-carboxamide Openeye Name: 4-cyano-2-methyl-N-[[4-[(2-methyl-1-piperidyl)methyl]phenyl]methyl]-5-pyrrol-1-yl-furan-3-carboxamide CAS Name: 4-cyano-2-methyl-N-[[4-[(2-methyl-1-piperidinyl)methyl]phenyl]methyl]-5-(1-pyrrolyl)-3-furancarboxamide IUPAC Name: 4-cyano-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide Traditional Name: 4-cyano-2-methyl-N-[4-[(2-methylpiperidino)methyl]benzyl]-5-pyrrol-1-yl-3-furamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC=C(C=C2)CNC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

Isomeric SMILES

CC1CCCCN1CC2=CC=C(C=C2)CNC(=O)C3=C(OC(=C3C#N)N4C=CC=C4)C

InChI

InChI=1S/C25H28N4O2/c1-18-7-3-4-14-29(18)17-21-10-8-20(9-11-21)16-27-24(30)23-19(2)31-25(22(23)15-26)28-12-5-6-13-28/h5-6,8-13,18H,3-4,7,14,16-17H2,1-2H3,(H,27,30)