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

Systemtic Name: 1-[(2-phenylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-phenylphenyl)methyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[(2-phenylphenyl)methyl]-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-phenylphenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(2-phenylbenzyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2OS/c1-2-7-24(8-3-1)30-10-5-4-9-26(30)21-32-14-6-15-33(17-16-32)22-29-20-28-19-25(11-12-31(28)34-29)27-13-18-35-23-27/h1-5,7-13,18-20,23H,6,14-17,21-22H2