N-(7-azanylheptyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(7-azanylheptyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(7-aminoheptyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(7-aminoheptyl)-2-(1-oxotridecyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(7-aminoheptyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(7-aminoheptyl)-2-tridecanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H51N3O2 MolecularWeight: 485.74484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51N3O2/c1-2-3-4-5-6-7-8-9-11-14-21-29(34)33-25-27-20-16-15-19-26(27)24-28(33)30(35)32-23-18-13-10-12-17-22-31/h15-16,19-20,28H,2-14,17-18,21-25,31H2,1H3,(H,32,35)