(3S)-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-butanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-butyryl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H41N5O2 MolecularWeight: 431.61464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCNCCCCNCCCN

Isomeric SMILES

CCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCCNCCCCNCCCN

InChI

InChI=1S/C24H41N5O2/c1-2-9-23(30)29-19-21-11-4-3-10-20(21)18-22(29)24(31)28-17-8-16-27-14-6-5-13-26-15-7-12-25/h3-4,10-11,22,26-27H,2,5-9,12-19,25H2,1H3,(H,28,31)/t22-/m0/s1