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

Systemtic Name: 2-(4-chlorophenyl)-3-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]propanenitrile Openeye Name: 2-(4-chlorophenyl)-3-[4-(2-furylmethyl)-1,4-diazepan-1-yl]propanenitrile CAS Name: 2-(4-chlorophenyl)-3-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]propanenitrile IUPAC Name: 2-(4-chlorophenyl)-3-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]propanenitrile Traditional Name: 2-(4-chlorophenyl)-3-[4-(2-furfuryl)-1,4-diazepan-1-yl]propionitrile Formula: C19H22ClN3O MolecularWeight: 343.85048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(C#N)C2=CC=C(C=C2)Cl)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)CC(C#N)C2=CC=C(C=C2)Cl)CC3=CC=CO3

InChI

InChI=1S/C19H22ClN3O/c20-18-6-4-16(5-7-18)17(13-21)14-22-8-2-9-23(11-10-22)15-19-3-1-12-24-19/h1,3-7,12,17H,2,8-11,14-15H2