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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]benzamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-3-phenylmethoxybenzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-phenylmethoxybenzamide Traditional Name: 3-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(=CC=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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