5-azanyl-N-butyl-9-(3,4-dihydro-1H-isoquinolin-2-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide

Systemtic Name: 5-azanyl-N-butyl-9-(3,4-dihydro-1H-isoquinolin-2-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide Openeye Name: 5-amino-N-butyl-9-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-2,7,7-trimethyl-9-oxo-nonanamide CAS Name: 5-amino-N-butyl-9-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-2,7,7-trimethyl-9-oxononanamide IUPAC Name: 5-amino-N-butyl-9-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-2,7,7-trimethyl-9-oxononanamide Traditional Name: 5-amino-N-butyl-9-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-9-keto-2,7,7-trimethyl-pelargonamide Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CCC2=CC=CC=C2C1)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CCC2=CC=CC=C2C1)N)O

InChI

InChI=1S/C25H41N3O3/c1-5-6-12-27-24(31)18(2)14-22(29)21(26)15-25(3,4)16-23(30)28-13-11-19-9-7-8-10-20(19)17-28/h7-10,18,21-22,29H,5-6,11-17,26H2,1-4H3,(H,27,31)