3-[3-[4-[(5-chloranylthiophen-2-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[4-[(5-chloranylthiophen-2-yl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-[(5-chloro-2-thienyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-[(5-chloro-2-thiophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-[(5-chlorothiophen-2-yl)methyl]-5-oxo-1,4-diazepan-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-[(5-chloro-2-thienyl)methyl]-5-keto-1,4-diazepan-1-yl]propoxy]benzonitrile Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=C(S2)Cl)CCCOC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=C(S2)Cl)CCCOC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H22ClN3O2S/c21-19-6-5-18(27-19)15-24-11-10-23(9-7-20(24)25)8-2-12-26-17-4-1-3-16(13-17)14-22/h1,3-6,13H,2,7-12,15H2