1-[(3-phenoxyphenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-phenoxyphenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-phenoxyphenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-phenoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-phenoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-phenoxyphenyl)-(2-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=CC=CS4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CS4

InChI

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