3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-methyl-2-phenyl-pyrazol-3-yl]oxyphenyl]-N,N-dimethyl-prop-2-enamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-methyl-2-phenyl-pyrazol-3-yl]oxyphenyl]-N,N-dimethyl-prop-2-enamide Openeye Name: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]-5-methyl-2-phenyl-pyrazol-3-yl]oxyphenyl]-N,N-dimethyl-prop-2-enamide CAS Name: 3-(3,5-dimethoxyphenyl)-2-[4-[[4-[3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-5-methyl-2-phenyl-3-pyrazolyl]oxy]phenyl]-N,N-dimethyl-2-propenamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-2-phenylpyrazol-3-yl]oxyphenyl]-N,N-dimethylprop-2-enamide Traditional Name: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-[4-(2-fluorophenyl)piperazino]-3-keto-propyl]-5-methyl-2-phenyl-pyrazol-3-yl]oxyphenyl]-N,N-dimethyl-acrylamide Formula: C42H44FN5O5 MolecularWeight: 717.827663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCC(=O)N2CCN(CC2)C3=CC=CC=C3F)OC4=CC=C(C=C4)C(=CC5=CC(=CC(=C5)OC)OC)C(=O)N(C)C)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1CCC(=O)N2CCN(CC2)C3=CC=CC=C3F)OC4=CC=C(C=C4)C(=CC5=CC(=CC(=C5)OC)OC)C(=O)N(C)C)C6=CC=CC=C6

InChI

InChI=1S/C42H44FN5O5/c1-29-36(19-20-40(49)47-23-21-46(22-24-47)39-14-10-9-13-38(39)43)42(48(44-29)32-11-7-6-8-12-32)53-33-17-15-31(16-18-33)37(41(50)45(2)3)27-30-25-34(51-4)28-35(26-30)52-5/h6-18,25-28H,19-24H2,1-5H3