N-methyl-N-[[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]methyl]-4-pyren-1-yl-butanamide

Systemtic Name: N-methyl-N-[[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]methyl]-4-pyren-1-yl-butanamide Openeye Name: N-methyl-N-[[8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-4-yl]methyl]-4-pyren-1-yl-butanamide CAS Name: N-methyl-N-[[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]methyl]-4-(1-pyrenyl)butanamide IUPAC Name: N-methyl-N-[[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]methyl]-4-pyren-1-ylbutanamide Traditional Name: N-methyl-N-[[8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-4-yl]methyl]-4-pyren-1-yl-butyramide Formula: C37H40N2O MolecularWeight: 528.7263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3CCC(C2CN(C)C(=O)CCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)N3C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC3CCC(C2CN(C)C(=O)CCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)N3C

InChI

InChI=1S/C37H40N2O/c1-24-10-12-26(13-11-24)32-22-30-19-21-34(39(30)3)33(32)23-38(2)35(40)9-5-6-25-14-15-29-17-16-27-7-4-8-28-18-20-31(25)37(29)36(27)28/h4,7-8,10-18,20,30,32-34H,5-6,9,19,21-23H2,1-3H3