phenyl N-cyano-N'-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]carbamimidate Openeye Name: 1-cyano-2-phenyl-3-[4-[3-(1-piperidylmethyl)phenoxy]butyl]isourea CAS Name: N-cyano-N'-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]carbamimidate Traditional Name: 1-cyano-2-phenyl-3-[4-[3-(piperidinomethyl)phenoxy]butyl]isourea Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCN=C(NC#N)OC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCN=C(NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O2/c25-20-27-24(30-22-11-3-1-4-12-22)26-14-5-8-17-29-23-13-9-10-21(18-23)19-28-15-6-2-7-16-28/h1,3-4,9-13,18H,2,5-8,14-17,19H2,(H,26,27)