1-[4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazino]heptan-1-one Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C31H39N3O4/c1-5-6-7-11-14-30(35)32-17-19-33(20-18-32)31(36)26-22-27(24-12-9-8-10-13-24)34(23(26)2)25-15-16-28(37-3)29(21-25)38-4/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3