1-cyano-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-2-prop-2-ynyl-guanidine

Systemtic Name: 1-cyano-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-2-prop-2-ynyl-guanidine Openeye Name: 1-cyano-3-[4-[3-(1-piperidylmethyl)phenoxy]butyl]-2-prop-2-ynyl-guanidine CAS Name: 1-cyano-3-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]-2-prop-2-ynylguanidine IUPAC Name: 1-cyano-3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-2-prop-2-ynylguanidine Traditional Name: 1-cyano-3-[4-[3-(piperidinomethyl)phenoxy]butyl]-2-propargyl-guanidine Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN=C(NCCCCOC1=CC=CC(=C1)CN2CCCCC2)NC#N

Isomeric SMILES

C#CCN=C(NCCCCOC1=CC=CC(=C1)CN2CCCCC2)NC#N

InChI

InChI=1S/C21H29N5O/c1-2-11-23-21(25-18-22)24-12-4-7-15-27-20-10-8-9-19(16-20)17-26-13-5-3-6-14-26/h1,8-10,16H,3-7,11-15,17H2,(H2,23,24,25)