3-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[4-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[4-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazino]phenyl]-4-methyl-benzamide Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)OC)OC)Cl

InChI

InChI=1S/C27H28ClN3O4/c1-18-4-5-19(16-25(18)28)26(32)29-21-6-8-22(9-7-21)30-10-12-31(13-11-30)27(33)20-14-23(34-2)17-24(15-20)35-3/h4-9,14-17H,10-13H2,1-3H3,(H,29,32)