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

Systemtic Name: 4-[[4-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoyl]piperazino]methyl]benzonitrile Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H27N3O4/c1-18-22-8-7-21(32-2)15-24(22)33-26(31)23(18)9-10-25(30)29-13-11-28(12-14-29)17-20-5-3-19(16-27)4-6-20/h3-8,15H,9-14,17H2,1-2H3