2-azanyl-4-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(4-benzoxy-2-bromo-5-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C24H21BrN2O4 MolecularWeight: 481.33854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21BrN2O4/c1-29-20-10-15(17(25)11-21(20)30-13-14-6-3-2-4-7-14)22-16(12-26)24(27)31-19-9-5-8-18(28)23(19)22/h2-4,6-7,10-11,22H,5,8-9,13,27H2,1H3