(3R,4S)-6-chloranyl-3-phenyl-4-phenylselanyl-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: (3R,4S)-6-chloranyl-3-phenyl-4-phenylselanyl-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: (3R,4S)-6-chloro-3-phenyl-4-phenylselanyl-3,4-dihydro-2H-isoquinolin-1-one CAS Name: (3R,4S)-6-chloro-3-phenyl-4-(phenylseleno)-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: (3R,4S)-6-chloro-3-phenyl-4-phenylselanyl-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: (3R,4S)-6-chloro-3-phenyl-4-(phenylseleno)-3,4-dihydroisocarbostyril Formula: C21H16ClNOSe MolecularWeight: 412.77084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=C(C=CC(=C3)Cl)C(=O)N2)[Se]C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C3=C(C=CC(=C3)Cl)C(=O)N2)[Se]C4=CC=CC=C4

InChI

InChI=1S/C21H16ClNOSe/c22-15-11-12-17-18(13-15)20(25-16-9-5-2-6-10-16)19(23-21(17)24)14-7-3-1-4-8-14/h1-13,19-20H,(H,23,24)/t19-,20+/m1/s1