1-oxidanylidene-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[3-[(1S)-1-phenylethoxy]propyl]-2H-isoquinoline-3-carboxamide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OCCCNC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)OCCCNC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C21H22N2O3/c1-15(16-8-3-2-4-9-16)26-13-7-12-22-21(25)19-14-17-10-5-6-11-18(17)20(24)23-19/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,22,25)(H,23,24)/t15-/m0/s1