2-butyl-1-[3-[4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]but-1-ynyl]phenyl]guanidine

Systemtic Name: 2-butyl-1-[3-[4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]but-1-ynyl]phenyl]guanidine Openeye Name: 2-butyl-1-[3-[4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]but-1-ynyl]phenyl]guanidine CAS Name: 2-butyl-1-[3-[4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]but-1-ynyl]phenyl]guanidine IUPAC Name: 2-butyl-1-[3-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]but-1-ynyl]phenyl]guanidine Traditional Name: 2-butyl-1-[3-[4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]but-1-ynyl]phenyl]guanidine Formula: C26H33ClN4O MolecularWeight: 453.01942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)NC1=CC=CC(=C1)C#CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCN=C(N)NC1=CC=CC(=C1)C#CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C26H33ClN4O/c1-2-3-16-29-25(28)30-24-9-6-8-21(20-24)7-4-5-17-31-18-14-26(32,15-19-31)22-10-12-23(27)13-11-22/h6,8-13,20,32H,2-3,5,14-19H2,1H3,(H3,28,29,30)