N-(6-azanylhexyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(6-azanylhexyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(6-aminohexyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(6-aminohexyl)-2-(4-cyclohexyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(6-aminohexyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(6-aminohexyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O2/c27-17-8-1-2-9-18-28-26(31)24-19-22-14-6-7-15-23(22)20-29(24)25(30)16-10-13-21-11-4-3-5-12-21/h6-7,14-15,21,24H,1-5,8-13,16-20,27H2,(H,28,31)