1-[4-[5-(4-chlorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[[5-(4-chlorophenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[5-(4-chlorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]-2-ethyl-hexan-1-one Formula: C30H36ClN3O2 MolecularWeight: 506.07874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C30H36ClN3O2/c1-4-6-10-23(5-2)29(35)32-17-19-33(20-18-32)30(36)27-21-28(24-13-15-25(31)16-14-24)34(22(27)3)26-11-8-7-9-12-26/h7-9,11-16,21,23H,4-6,10,17-20H2,1-3H3