1-cyano-3-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]-2-quinolin-8-yl-guanidine

Systemtic Name: 1-cyano-3-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]-2-quinolin-8-yl-guanidine Openeye Name: 1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-2-(8-quinolyl)guanidine CAS Name: 1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-2-(8-quinolinyl)guanidine IUPAC Name: 1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-quinolin-8-ylguanidine Traditional Name: 1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]-2-(8-quinolyl)guanidine Formula: C26H25N7O MolecularWeight: 451.523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N=C(NC#N)NC3=CC=C(C=C3)CCNCC(C4=CN=CC=C4)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)N=C(NC#N)NC3=CC=C(C=C3)CCNC[C@@H](C4=CN=CC=C4)O)N=CC=C2

InChI

InChI=1S/C26H25N7O/c27-18-31-26(33-23-7-1-4-20-5-3-14-30-25(20)23)32-22-10-8-19(9-11-22)12-15-29-17-24(34)21-6-2-13-28-16-21/h1-11,13-14,16,24,29,34H,12,15,17H2,(H2,31,32,33)/t24-/m0/s1