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

Systemtic Name: 1-[(3-phenoxyphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-phenoxyphenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-phenoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-phenoxyphenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C22H24N2OS MolecularWeight: 364.50376

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C22H24N2OS/c1-2-7-20(8-3-1)25-21-9-4-6-18(16-21)22(19-10-15-26-17-19)24-13-5-11-23-12-14-24/h1-4,6-10,15-17,22-23H,5,11-14H2