(3S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CC4=CC=CC=C4CC3C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CC4=CC=CC=C4C[C@H]3C(=O)N)OC1

InChI

InChI=1S/C21H23N3O4/c22-21(26)17-10-14-4-1-2-5-15(14)12-24(17)13-20(25)23-16-6-7-18-19(11-16)28-9-3-8-27-18/h1-2,4-7,11,17H,3,8-10,12-13H2,(H2,22,26)(H,23,25)/t17-/m0/s1