4-[[4-[3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(2-keto-4,7-dimethyl-chromen-3-yl)propanoyl]piperazino]methyl]benzonitrile Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H27N3O3/c1-18-3-8-22-19(2)23(26(31)32-24(22)15-18)9-10-25(30)29-13-11-28(12-14-29)17-21-6-4-20(16-27)5-7-21/h3-8,15H,9-14,17H2,1-2H3