(3R,4S)-2-ethyl-4-(imidazol-1-ylmethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3R,4S)-2-ethyl-4-(imidazol-1-ylmethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: (3R,4S)-2-ethyl-4-(imidazol-1-ylmethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: (3R,4S)-2-ethyl-4-(1-imidazolylmethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: (3R,4S)-2-ethyl-4-(imidazol-1-ylmethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: (3R,4S)-2-ethyl-4-(imidazol-1-ylmethyl)-3-phenyl-3,4-dihydroisocarbostyril Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)CN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)CN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O/c1-2-24-20(16-8-4-3-5-9-16)19(14-23-13-12-22-15-23)17-10-6-7-11-18(17)21(24)25/h3-13,15,19-20H,2,14H2,1H3/t19-,20+/m1/s1