5-[2-[4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]ethynyl]pyrimidine

Systemtic Name: 5-[2-[4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]ethynyl]pyrimidine Openeye Name: 5-[2-[4-[(3-pyrrolidin-1-yl-1-piperidyl)methyl]phenyl]ethynyl]pyrimidine CAS Name: 5-[2-[4-[[3-(1-pyrrolidinyl)-1-piperidinyl]methyl]phenyl]ethynyl]pyrimidine IUPAC Name: 5-[2-[4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]ethynyl]pyrimidine Traditional Name: 5-[2-[4-[(3-pyrrolidinopiperidino)methyl]phenyl]ethynyl]pyrimidine Formula: C22H26N4 MolecularWeight: 346.46864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCCN(C2)CC3=CC=C(C=C3)C#CC4=CN=CN=C4

Isomeric SMILES

C1CCN(C1)C2CCCN(C2)CC3=CC=C(C=C3)C#CC4=CN=CN=C4

InChI

InChI=1S/C22H26N4/c1-2-13-26(12-1)22-4-3-11-25(17-22)16-20-8-5-19(6-9-20)7-10-21-14-23-18-24-15-21/h5-6,8-9,14-15,18,22H,1-4,11-13,16-17H2