methyl 3-(4-methylpiperazin-1-yl)carbonyl-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-(4-methylpiperazin-1-yl)carbonyl-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-(4-methylpiperazine-1-carbonyl)-5-pyrrol-1-yl-benzoate CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(4-methylpiperazine-1-carbonyl)-5-pyrrol-1-ylbenzoate Traditional Name: 3-(4-methylpiperazine-1-carbonyl)-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)N3C=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)N3C=CC=C3)C(=O)OC

InChI

InChI=1S/C18H21N3O3/c1-19-7-9-21(10-8-19)17(22)14-11-15(18(23)24-2)13-16(12-14)20-5-3-4-6-20/h3-6,11-13H,7-10H2,1-2H3