N-(2,6-dimethylphenyl)-2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenoxybenzoyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenoxybenzoyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(3-phenoxybenzoyl)piperazino]acetamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-20-8-6-9-21(2)26(20)28-25(31)19-29-14-16-30(17-15-29)27(32)22-10-7-13-24(18-22)33-23-11-4-3-5-12-23/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)