5-(4-methoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine

Systemtic Name: 5-(4-methoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine Openeye Name: 5-(4-methoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine CAS Name: 5-(4-methoxyphenyl)-2-[4-[4-(1-pyrrolidinylmethyl)phenyl]but-1-ynyl]pyridine IUPAC Name: 5-(4-methoxyphenyl)-2-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-1-ynyl]pyridine Traditional Name: 5-(4-methoxyphenyl)-2-[4-[4-(pyrrolidinomethyl)phenyl]but-1-ynyl]pyridine Formula: C27H28N2O MolecularWeight: 396.52402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(C=C2)C#CCCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(C=C2)C#CCCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C27H28N2O/c1-30-27-16-13-24(14-17-27)25-12-15-26(28-20-25)7-3-2-6-22-8-10-23(11-9-22)21-29-18-4-5-19-29/h8-17,20H,2,4-6,18-19,21H2,1H3