(3S)-2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c21-16-8-13(9-18-19(16)26-7-3-6-25-18)11-23-12-15-5-2-1-4-14(15)10-17(23)20(22)24/h1-2,4-5,8-9,17H,3,6-7,10-12H2,(H2,22,24)/t17-/m0/s1