2-(4-ethyl-2-methyl-phenyl)-7-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-azepine

Systemtic Name: 2-(4-ethyl-2-methyl-phenyl)-7-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-azepine Openeye Name: 2-(4-ethyl-2-methyl-phenyl)-7-(o-tolyl)-3,4,5,6-tetrahydro-2H-azepine CAS Name: 2-(4-ethyl-2-methylphenyl)-7-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-azepine IUPAC Name: 2-(4-ethyl-2-methylphenyl)-7-(2-methylphenyl)-3,4,5,6-tetrahydro-2H-azepine Traditional Name: 2-(4-ethyl-2-methyl-phenyl)-7-(o-tolyl)-3,4,5,6-tetrahydro-2H-azepine Formula: C22H27N MolecularWeight: 305.45648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2CCCCC(=N2)C3=CC=CC=C3C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)C2CCCCC(=N2)C3=CC=CC=C3C)C

InChI

InChI=1S/C22H27N/c1-4-18-13-14-20(17(3)15-18)22-12-8-7-11-21(23-22)19-10-6-5-9-16(19)2/h5-6,9-10,13-15,22H,4,7-8,11-12H2,1-3H3