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

Systemtic Name: N-(5-azanylpentyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(5-aminopentyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(5-aminopentyl)-2-(4-cyclohexyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(5-aminopentyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(5-aminopentyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCCCN

Isomeric SMILES

C1CCC(CC1)CCCC(=O)N2CC3=CC=CC=C3CC2C(=O)NCCCCCN

InChI

InChI=1S/C25H39N3O2/c26-16-7-2-8-17-27-25(30)23-18-21-13-5-6-14-22(21)19-28(23)24(29)15-9-12-20-10-3-1-4-11-20/h5-6,13-14,20,23H,1-4,7-12,15-19,26H2,(H,27,30)