5-(4-chlorophenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine-3-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine-3-carbonitrile Openeye Name: 5-(4-chlorophenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine-3-carbonitrile CAS Name: 5-(4-chlorophenyl)-2-[4-[4-(1-pyrrolidinylmethyl)phenyl]but-1-ynyl]-3-pyridinecarbonitrile IUPAC Name: 5-(4-chlorophenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine-3-carbonitrile Traditional Name: 5-(4-chlorophenyl)-2-[4-[4-(pyrrolidinomethyl)phenyl]but-1-ynyl]nicotinonitrile Formula: C27H24ClN3 MolecularWeight: 425.95256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CCC#CC3=NC=C(C=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CCC#CC3=NC=C(C=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3/c28-26-13-11-23(12-14-26)25-17-24(18-29)27(30-19-25)6-2-1-5-21-7-9-22(10-8-21)20-31-15-3-4-16-31/h7-14,17,19H,1,3-5,15-16,20H2