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

Systemtic Name: 1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]heptan-1-one Openeye Name: 1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[5-(4-methoxyphenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[5-(4-methoxyphenyl)-2-methyl-1-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=C(C=C3)OC)C4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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