N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide

Systemtic Name: N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide Openeye Name: N-[4-[4-(o-tolyl)piperazin-1-yl]butyl]anthracene-2-carboxamide CAS Name: N-[4-[4-(2-methylphenyl)-1-piperazinyl]butyl]-2-anthracenecarboxamide IUPAC Name: N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide Traditional Name: N-[4-[4-(o-tolyl)piperazino]butyl]anthracene-2-carboxamide Formula: C30H33N3O MolecularWeight: 451.60252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3

InChI

InChI=1S/C30H33N3O/c1-23-8-2-5-11-29(23)33-18-16-32(17-19-33)15-7-6-14-31-30(34)27-13-12-26-20-24-9-3-4-10-25(24)21-28(26)22-27/h2-5,8-13,20-22H,6-7,14-19H2,1H3,(H,31,34)