1-[(2-phenylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-phenylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-phenylphenyl)methyl]-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[(2-phenylphenyl)methyl]-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-phenylphenyl)methyl]-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-phenylbenzyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C32H31N3O MolecularWeight: 473.60804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)CC5=CC=CC=C5C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)CC5=CC=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C32H31N3O/c1-2-8-25(9-3-1)31-12-5-4-10-28(31)23-34-16-7-17-35(19-18-34)24-30-21-29-20-26(13-14-32(29)36-30)27-11-6-15-33-22-27/h1-6,8-15,20-22H,7,16-19,23-24H2