1-[(3-methoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C25H30N2O2S MolecularWeight: 422.5829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C25H30N2O2S/c1-19-9-12-24(30-19)25(27-15-6-13-26-14-16-27)21-10-11-22(23(17-21)28-2)29-18-20-7-4-3-5-8-20/h3-5,7-12,17,25-26H,6,13-16,18H2,1-2H3