6-ethyl-8-[(4-methylpiperazin-1-yl)-phenyl-methyl]-7-oxidanyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-8-[(4-methylpiperazin-1-yl)-phenyl-methyl]-7-oxidanyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)-phenyl-methyl]-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazinyl)-phenylmethyl]-3-[(1-phenyl-4-pyrazolyl)oxy]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)-phenylmethyl]-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazino)-phenyl-methyl]-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromone Formula: C33H31F3N4O4 MolecularWeight: 604.61885

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CN(N=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)N6CCN(CC6)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CN(N=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)N6CCN(CC6)C)O

InChI

InChI=1S/C33H31F3N4O4/c1-3-21-18-25-29(42)31(43-24-19-37-40(20-24)23-12-8-5-9-13-23)32(33(34,35)36)44-30(25)26(28(21)41)27(22-10-6-4-7-11-22)39-16-14-38(2)15-17-39/h4-13,18-20,27,41H,3,14-17H2,1-2H3