(3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[3-(1-benzimidazolyl)propyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[3-(benzimidazol-1-yl)propyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NCCCN3C=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](OC(=O)C2=C1C=C(C=C2)C(=O)NCCCN3C=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3/c30-25(27-13-6-14-29-17-28-22-9-4-5-10-23(22)29)19-11-12-21-20(15-19)16-24(32-26(21)31)18-7-2-1-3-8-18/h1-5,7-12,15,17,24H,6,13-14,16H2,(H,27,30)/t24-/m0/s1