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

Systemtic Name: N-[4-[4-(3-chloranyl-2-methyl-phenyl)piperazin-1-yl]butyl]biphenylene-2-carboxamide Openeye Name: N-[4-[4-(3-chloro-2-methyl-phenyl)piperazin-1-yl]butyl]biphenylene-2-carboxamide CAS Name: N-[4-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]butyl]-2-biphenylenecarboxamide IUPAC Name: N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]biphenylene-2-carboxamide Traditional Name: N-[4-[4-(3-chloro-2-methyl-phenyl)piperazino]butyl]biphenylene-2-carboxamide Formula: C28H30ClN3O MolecularWeight: 460.0103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(C=C3)C5=CC=CC=C54

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2CCN(CC2)CCCCNC(=O)C3=CC4=C(C=C3)C5=CC=CC=C54

InChI

InChI=1S/C28H30ClN3O/c1-20-26(29)9-6-10-27(20)32-17-15-31(16-18-32)14-5-4-13-30-28(33)21-11-12-24-22-7-2-3-8-23(22)25(24)19-21/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,30,33)