N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-phenylmethoxybenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]benzamide Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

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