phenyl N-cyano-N'-(4-imidazol-1-yl-3-methoxy-phenyl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(4-imidazol-1-yl-3-methoxy-phenyl)carbamimidate Openeye Name: 1-cyano-3-(4-imidazol-1-yl-3-methoxy-phenyl)-2-phenyl-isourea CAS Name: N-cyano-N'-[4-(1-imidazolyl)-3-methoxyphenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(4-imidazol-1-yl-3-methoxyphenyl)carbamimidate Traditional Name: 1-cyano-3-(4-imidazol-1-yl-3-methoxy-phenyl)-2-phenyl-isourea Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=C(NC#N)OC2=CC=CC=C2)N3C=CN=C3

Isomeric SMILES

COC1=C(C=CC(=C1)N=C(NC#N)OC2=CC=CC=C2)N3C=CN=C3

InChI

InChI=1S/C18H15N5O2/c1-24-17-11-14(7-8-16(17)23-10-9-20-13-23)22-18(21-12-19)25-15-5-3-2-4-6-15/h2-11,13H,1H3,(H,21,22)