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

Systemtic Name: 1-[4-[1-(3-methoxyphenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[1-(3-methoxyphenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[1-(3-methoxyphenyl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[1-(3-methoxyphenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazino]heptan-1-one Formula: C30H37N3O3 MolecularWeight: 487.63308

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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(=CC=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O3/c1-4-5-6-10-16-29(34)31-17-19-32(20-18-31)30(35)27-22-28(24-12-8-7-9-13-24)33(23(27)2)25-14-11-15-26(21-25)36-3/h7-9,11-15,21-22H,4-6,10,16-20H2,1-3H3