1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane

Systemtic Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane Openeye Name: 1-phenethyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-4-phenethyl-1,4-diazepane IUPAC Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane Traditional Name: 1-phenethyl-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C29H32N2O MolecularWeight: 424.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H32N2O/c1-23-8-10-25(11-9-23)26-12-13-29-27(20-26)21-28(32-29)22-31-16-5-15-30(18-19-31)17-14-24-6-3-2-4-7-24/h2-4,6-13,20-21H,5,14-19,22H2,1H3