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

Systemtic Name: (4S)-2-azanyl-6-hexyl-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-(3-pyridyl)-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-(3-pyridinyl)-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-6-hexyl-7-hydroxy-4-(3-pyridyl)-4H-chromene-3-carbonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-2-3-4-5-7-14-10-16-19(11-18(14)25)26-21(23)17(12-22)20(16)15-8-6-9-24-13-15/h6,8-11,13,20,25H,2-5,7,23H2,1H3/t20-/m0/s1