1-[(5-chloranylthiophen-2-yl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-thiophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane Formula: C23H25ClN2OS MolecularWeight: 412.9754

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H25ClN2OS/c24-22-12-11-21(28-22)23(26-15-4-13-25-14-16-26)19-7-9-20(10-8-19)27-17-18-5-2-1-3-6-18/h1-3,5-12,23,25H,4,13-17H2