N-(1,3-benzodioxol-5-yl)-1-(2-propan-2-ylquinolin-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-propan-2-ylquinolin-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-isopropylquinoline-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-(2-propan-2-yl-4-quinolinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-isopropylquinoline-4-carbonyl)isonipecotamide Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H27N3O4/c1-16(2)22-14-20(19-5-3-4-6-21(19)28-22)26(31)29-11-9-17(10-12-29)25(30)27-18-7-8-23-24(13-18)33-15-32-23/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,27,30)