(3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3/c1-18(19-7-10-23(11-8-19)30-14-13-28-17-30)29-26(31)21-9-12-24-22(15-21)16-25(33-27(24)32)20-5-3-2-4-6-20/h2-15,17-18,25H,16H2,1H3,(H,29,31)/t18-,25-/m0/s1