2-azanyl-4-[4-[(2-cyanophenyl)methoxy]-3-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-[(2-cyanophenyl)methoxy]-3-methoxy-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(2-cyanophenyl)methoxy]-3-methoxy-phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[4-(2-cyanobenzyl)oxy-3-methoxy-phenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C25H21N3O4/c1-30-22-11-15(9-10-20(22)31-14-17-6-3-2-5-16(17)12-26)23-18(13-27)25(28)32-21-8-4-7-19(29)24(21)23/h2-3,5-6,9-11,23H,4,7-8,14,28H2,1H3