1-[[3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-3-carboxamide

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-oxidanylidene-2-propyl-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-3-carboxamide Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxamide CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxamide Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-1-keto-2-propyl-3,4-dihydroisoquinoline-4-carbonyl]nipecotamide Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCC(C3)C(=O)N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCCC(C3)C(=O)N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O5/c1-2-11-29-23(16-9-10-20-21(13-16)34-15-33-20)22(18-7-3-4-8-19(18)25(29)31)26(32)28-12-5-6-17(14-28)24(27)30/h3-4,7-10,13,17,22-23H,2,5-6,11-12,14-15H2,1H3,(H2,27,30)