2-azanyl-5-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-5-oxidanylidene-4-[1-(phenylmethyl)indol-3-yl]-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-(1-benzylindol-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-5-oxo-4-[1-(phenylmethyl)-3-indolyl]-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-(1-benzylindol-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-(1-benzylindol-3-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C25H21N3O2/c26-13-18-23(24-21(29)11-6-12-22(24)30-25(18)27)19-15-28(14-16-7-2-1-3-8-16)20-10-5-4-9-17(19)20/h1-5,7-10,15,23H,6,11-12,14,27H2