1-[4-[1-(2-ethylphenyl)-5-(4-pyrrolidin-1-ylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]octane-1,7-dione

Systemtic Name: 1-[4-[1-(2-ethylphenyl)-5-(4-pyrrolidin-1-ylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]octane-1,7-dione Openeye Name: 1-[4-[1-(2-ethylphenyl)-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]octane-1,7-dione CAS Name: 1-[4-[[1-(2-ethylphenyl)-5-[4-(1-pyrrolidinyl)phenyl]-3-pyrazolyl]-oxomethyl]-1-piperazinyl]octane-1,7-dione IUPAC Name: 1-[4-[1-(2-ethylphenyl)-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]octane-1,7-dione Traditional Name: 1-[4-[1-(2-ethylphenyl)-5-(4-pyrrolidinophenyl)pyrazole-3-carbonyl]piperazino]octane-1,7-dione Formula: C34H43N5O3 MolecularWeight: 569.73692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CCCCCC(=O)C)C4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CCCCCC(=O)C)C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C34H43N5O3/c1-3-27-12-7-8-13-31(27)39-32(28-15-17-29(18-16-28)36-19-9-10-20-36)25-30(35-39)34(42)38-23-21-37(22-24-38)33(41)14-6-4-5-11-26(2)40/h7-8,12-13,15-18,25H,3-6,9-11,14,19-24H2,1-2H3