1-[(3-phenylmethoxyphenyl)-thiophen-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenylmethoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C23H26N2OS/c1-2-6-19(7-3-1)17-26-22-9-4-8-20(16-22)23(21-10-15-27-18-21)25-13-5-11-24-12-14-25/h1-4,6-10,15-16,18,23-24H,5,11-14,17H2