(3S)-2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CN3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CN3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C24H28N4O3/c25-23(30)21-14-18-6-4-5-7-19(18)15-28(21)16-22(29)27-12-10-17(11-13-27)24(31)26-20-8-2-1-3-9-20/h1-9,17,21H,10-16H2,(H2,25,30)(H,26,31)/t21-/m0/s1