N-(5-azanylpentyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(5-azanylpentyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(5-aminopentyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(5-aminopentyl)-2-(1-oxotridecyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(5-aminopentyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(5-aminopentyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H47N3O2 MolecularWeight: 457.69168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCCCN

Isomeric SMILES

CCCCCCCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCCCN

InChI

InChI=1S/C28H47N3O2/c1-2-3-4-5-6-7-8-9-10-12-19-27(32)31-23-25-18-14-13-17-24(25)22-26(31)28(33)30-21-16-11-15-20-29/h13-14,17-18,26H,2-12,15-16,19-23,29H2,1H3,(H,30,33)