2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-pyridine-3-carboxamide CAS Name: 2-[1-[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-piperidinyl]-N-[3-(1-imidazolyl)propyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[1-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[3-(1,3-benzodioxol-5-yl)acryloyl]-4-piperidyl]-N-(3-imidazol-1-ylpropyl)-6-methyl-nicotinamide Formula: C28H31N5O4 MolecularWeight: 501.57684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)C=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N5O4/c1-20-3-6-23(28(35)30-11-2-13-32-16-12-29-18-32)27(31-20)22-9-14-33(15-10-22)26(34)8-5-21-4-7-24-25(17-21)37-19-36-24/h3-8,12,16-18,22H,2,9-11,13-15,19H2,1H3,(H,30,35)