1-[5-(2-methylphenyl)-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-propyl-azepane

Systemtic Name: 1-[5-(2-methylphenyl)-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-propyl-azepane Openeye Name: 1-[6-(3-isopropylphenyl)-5-(o-tolyl)pyrazin-2-yl]-4-propyl-azepane CAS Name: 1-[5-(2-methylphenyl)-6-(3-propan-2-ylphenyl)-2-pyrazinyl]-4-propylazepane IUPAC Name: 1-[5-(2-methylphenyl)-6-(3-propan-2-ylphenyl)pyrazin-2-yl]-4-propylazepane Traditional Name: 1-[6-m-cumenyl-5-(o-tolyl)pyrazin-2-yl]-4-propyl-azepane Formula: C29H37N3 MolecularWeight: 427.62418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCN(CC1)C2=CN=C(C(=N2)C3=CC(=CC=C3)C(C)C)C4=CC=CC=C4C

Isomeric SMILES

CCCC1CCCN(CC1)C2=CN=C(C(=N2)C3=CC(=CC=C3)C(C)C)C4=CC=CC=C4C

InChI

InChI=1S/C29H37N3/c1-5-10-23-12-9-17-32(18-16-23)27-20-30-29(26-15-7-6-11-22(26)4)28(31-27)25-14-8-13-24(19-25)21(2)3/h6-8,11,13-15,19-21,23H,5,9-10,12,16-18H2,1-4H3