3-(4-methoxyphenyl)-2-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynoxy]chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynoxy]chromen-4-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)but-2-ynoxy]-3-(4-methoxyphenyl)chromen-4-one CAS Name: 3-(4-methoxyphenyl)-2-[4-[4-(phenylmethyl)-1-piperazinyl]but-2-ynoxy]-1-benzopyran-4-one IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)but-2-ynoxy]-3-(4-methoxyphenyl)chromen-4-one Traditional Name: 2-[4-(4-benzylpiperazino)but-2-ynoxy]-3-(4-methoxyphenyl)chromone Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)OCC#CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)OCC#CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H30N2O4/c1-35-26-15-13-25(14-16-26)29-30(34)27-11-5-6-12-28(27)37-31(29)36-22-8-7-17-32-18-20-33(21-19-32)23-24-9-3-2-4-10-24/h2-6,9-16H,17-23H2,1H3