methyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoic acid methyl ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C22H24ClN3O4/c1-14-4-5-16(12-18(14)23)21(28)24-19-13-17(22(29)30-3)6-7-20(19)26-10-8-25(9-11-26)15(2)27/h4-7,12-13H,8-11H2,1-3H3,(H,24,28)