N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(phenoxymethyl)benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(phenoxymethyl)benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(phenoxymethyl)benzamide CAS Name: N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-(phenoxymethyl)benzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(phenoxymethyl)benzamide Traditional Name: N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-4-(phenoxymethyl)benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H30ClN3O3/c1-20(2)28(34)32-16-14-31(15-17-32)26-13-12-23(18-25(26)29)30-27(33)22-10-8-21(9-11-22)19-35-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33)