(3S)-2-[2-oxidanylidene-2-[(2-propoxyphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-oxidanylidene-2-[(2-propoxyphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-oxo-2-(2-propoxyanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-oxo-2-(2-propoxyanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-oxo-2-(2-propoxyanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(2-propoxyanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C21H25N3O3/c1-2-11-27-19-10-6-5-9-17(19)23-20(25)14-24-13-16-8-4-3-7-15(16)12-18(24)21(22)26/h3-10,18H,2,11-14H2,1H3,(H2,22,26)(H,23,25)/t18-/m0/s1