1-[(5-chloranylthiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-thienyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-thiophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-thienyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C22H23ClN2OS MolecularWeight: 398.94882

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Cl

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H23ClN2OS/c23-21-11-10-20(27-21)22(25-14-5-12-24-13-15-25)17-6-4-9-19(16-17)26-18-7-2-1-3-8-18/h1-4,6-11,16,22,24H,5,12-15H2