(4S)-2-azanyl-4-[(R)-cyano-(3,4-dichlorophenyl)methyl]-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[(R)-cyano-(3,4-dichlorophenyl)methyl]-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[(R)-cyano-(3,4-dichlorophenyl)methyl]-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[(R)-cyano-(3,4-dichlorophenyl)methyl]-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[(R)-cyano-(3,4-dichlorophenyl)methyl]-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-[(R)-cyano-(3,4-dichlorophenyl)methyl]-4H-chromene-3-carbonitrile Formula: C18H11Cl2N3O MolecularWeight: 356.20544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11Cl2N3O/c19-14-6-5-10(7-15(14)20)12(8-21)17-11-3-1-2-4-16(11)24-18(23)13(17)9-22/h1-7,12,17H,23H2/t12-,17+/m0/s1