(4S)-2-azanyl-4-(4-chlorophenyl)-6-hexyl-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(4-chlorophenyl)-6-hexyl-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(4-chlorophenyl)-6-hexyl-7-hydroxy-4H-chromene-3-carbonitrile Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)[C@@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H23ClN2O2/c1-2-3-4-5-6-15-11-17-20(12-19(15)26)27-22(25)18(13-24)21(17)14-7-9-16(23)10-8-14/h7-12,21,26H,2-6,25H2,1H3/t21-/m0/s1