2-(4-chlorophenyl)-3-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propanenitrile

Systemtic Name: 2-(4-chlorophenyl)-3-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propanenitrile Openeye Name: 2-(4-chlorophenyl)-3-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]propanenitrile CAS Name: 2-(4-chlorophenyl)-3-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]propanenitrile IUPAC Name: 2-(4-chlorophenyl)-3-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]propanenitrile Traditional Name: 2-(4-chlorophenyl)-3-[4-(3-thenyl)-1,4-diazepan-1-yl]propionitrile Formula: C19H22ClN3S MolecularWeight: 359.91608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(C#N)C2=CC=C(C=C2)Cl)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)CC(C#N)C2=CC=C(C=C2)Cl)CC3=CSC=C3

InChI

InChI=1S/C19H22ClN3S/c20-19-4-2-17(3-5-19)18(12-21)14-23-8-1-7-22(9-10-23)13-16-6-11-24-15-16/h2-6,11,15,18H,1,7-10,13-14H2