3-(4-methoxyphenyl)-7-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynoxy]chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-7-[4-[4-(phenylmethyl)piperazin-1-yl]but-2-ynoxy]chromen-4-one Openeye Name: 7-[4-(4-benzylpiperazin-1-yl)but-2-ynoxy]-3-(4-methoxyphenyl)chromen-4-one CAS Name: 3-(4-methoxyphenyl)-7-[4-[4-(phenylmethyl)-1-piperazinyl]but-2-ynoxy]-1-benzopyran-4-one IUPAC Name: 7-[4-(4-benzylpiperazin-1-yl)but-2-ynoxy]-3-(4-methoxyphenyl)chromen-4-one Traditional Name: 7-[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=COC3=C(C2=O)C=CC(=C3)OCC#CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC#CCN4CCN(CC4)CC5=CC=CC=C5

InChI

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