1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C26H26N2S MolecularWeight: 398.56304

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C26H26N2S/c1-2-7-20(8-3-1)21-11-13-22(14-12-21)26(28-17-6-15-27-16-18-28)24-19-29-25-10-5-4-9-23(24)25/h1-5,7-14,19,26-27H,6,15-18H2