N-[1-[4-(3-chloranyl-2-methyl-phenyl)piperazin-1-yl]butyl]dibenzofuran-2-carboxamide

Systemtic Name: N-[1-[4-(3-chloranyl-2-methyl-phenyl)piperazin-1-yl]butyl]dibenzofuran-2-carboxamide Openeye Name: N-[1-[4-(3-chloro-2-methyl-phenyl)piperazin-1-yl]butyl]dibenzofuran-2-carboxamide CAS Name: N-[1-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]butyl]-2-dibenzofurancarboxamide IUPAC Name: N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]dibenzofuran-2-carboxamide Traditional Name: N-[1-[4-(3-chloro-2-methyl-phenyl)piperazino]butyl]dibenzofuran-2-carboxamide Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32)N4CCN(CC4)C5=C(C(=CC=C5)Cl)C

Isomeric SMILES

CCCC(NC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C32)N4CCN(CC4)C5=C(C(=CC=C5)Cl)C

InChI

InChI=1S/C28H30ClN3O2/c1-3-7-27(32-16-14-31(15-17-32)24-10-6-9-23(29)19(24)2)30-28(33)20-12-13-26-22(18-20)21-8-4-5-11-25(21)34-26/h4-6,8-13,18,27H,3,7,14-17H2,1-2H3,(H,30,33)