(4S,7S)-2-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S,7S)-2-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S,7S)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S,7S)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S,7S)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S,7S)-2-amino-4-(3,4-dimethoxyphenyl)-5-keto-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C(=C(OC3=C2C(=O)C[C@H](C3)C4=CC=CC=C4)N)C#N)OC

InChI

InChI=1S/C24H22N2O4/c1-28-19-9-8-15(11-20(19)29-2)22-17(13-25)24(26)30-21-12-16(10-18(27)23(21)22)14-6-4-3-5-7-14/h3-9,11,16,22H,10,12,26H2,1-2H3/t16-,22+/m1/s1