1-[4-[1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-isopropyl-1-[4-(3-methoxyphenyl)thiazol-2-yl]pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[1-[4-(3-methoxyphenyl)-2-thiazolyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-2-methyl-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-isopropyl-1-[4-(3-methoxyphenyl)thiazol-2-yl]pyrazole-4-carbonyl]-2-methyl-piperazino]heptan-1-one Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(N(N=C2)C3=NC(=CS3)C4=CC(=CC=C4)OC)C(C)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(N(N=C2)C3=NC(=CS3)C4=CC(=CC=C4)OC)C(C)C

InChI

InChI=1S/C29H39N5O3S/c1-6-7-8-9-13-26(35)33-15-14-32(18-21(33)4)28(36)24-17-30-34(27(24)20(2)3)29-31-25(19-38-29)22-11-10-12-23(16-22)37-5/h10-12,16-17,19-21H,6-9,13-15,18H2,1-5H3