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

Systemtic Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]butan-1-one Openeye Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[[5-(3-methoxyphenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]butan-1-one Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-4-9-26(31)28-14-16-29(17-15-28)27(32)24-19-25(21-10-8-13-23(18-21)33-3)30(20(24)2)22-11-6-5-7-12-22/h5-8,10-13,18-19H,4,9,14-17H2,1-3H3