(3S)-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(indan-5-ylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(indan-5-ylamino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CN3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C21H23N3O2/c22-21(26)19-11-16-4-1-2-5-17(16)12-24(19)13-20(25)23-18-9-8-14-6-3-7-15(14)10-18/h1-2,4-5,8-10,19H,3,6-7,11-13H2,(H2,22,26)(H,23,25)/t19-/m0/s1