2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3,3-dimethyl-2-oxo-pentanoyl)-N-[3-(3-pyridyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-N-[3-(3-pyridinyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3,3-dimethyl-2-oxopentanoyl)-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)-N-[3-(3-pyridyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCC3=CN=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCC3=CN=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-4-25(2,3)22(29)24(31)28-17-20-12-6-5-11-19(20)15-21(28)23(30)27-14-8-10-18-9-7-13-26-16-18/h5-7,9,11-13,16,21H,4,8,10,14-15,17H2,1-3H3,(H,27,30)