4-[[4-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]piperazino]methyl]benzonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)CC4=CC=C(C=C4)C#N)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)CC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C23H23N3O3/c1-16-21(27)7-6-20-19(12-22(28)29-23(16)20)15-26-10-8-25(9-11-26)14-18-4-2-17(13-24)3-5-18/h2-7,12,27H,8-11,14-15H2,1H3