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

Systemtic Name: N-(7-azanylheptyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(7-aminoheptyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(7-aminoheptyl)-2-(4-cyclohexyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(7-aminoheptyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(7-aminoheptyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H43N3O2 MolecularWeight: 441.64922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O2/c28-18-9-2-1-3-10-19-29-27(32)25-20-23-15-7-8-16-24(23)21-30(25)26(31)17-11-14-22-12-5-4-6-13-22/h7-8,15-16,22,25H,1-6,9-14,17-21,28H2,(H,29,32)