N-[2-chloranyl-5-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-chloranyl-5-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazine-1-carbonyl)-2-chloro-5-methoxy-phenyl]acetamide CAS Name: N-[2-chloro-5-methoxy-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazine-1-carbonyl)-2-chloro-5-methoxyphenyl]acetamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)-2-chloro-5-methoxy-phenyl]acetamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-15(26)23-19-13-20(28-2)17(12-18(19)22)21(27)25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)