(3R)-6-chloranyl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3R)-6-chloranyl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3R)-6-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]chromane-3-carboxamide CAS Name: (3R)-6-chloro-N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3R)-6-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3R)-6-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]chroman-3-carboxamide Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H20ClN3O2/c1-14(15-2-5-19(6-3-15)25-9-8-23-13-25)24-21(26)17-10-16-11-18(22)4-7-20(16)27-12-17/h2-9,11,13-14,17H,10,12H2,1H3,(H,24,26)/t14-,17+/m0/s1