(E)-(2-cyano-5-methoxy-4-oxidanyl-phenyl)-ethylidene-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)azanium

Systemtic Name: (E)-(2-cyano-5-methoxy-4-oxidanyl-phenyl)-ethylidene-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)azanium Openeye Name: (E)-(2-cyano-4-hydroxy-5-methoxy-phenyl)-ethylidene-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ammonium CAS Name: (E)-(2-cyano-4-hydroxy-5-methoxyphenyl)-ethylidene-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]ammonium IUPAC Name: (E)-(2-cyano-4-hydroxy-5-methoxyphenyl)-ethylidene-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]azanium Traditional Name: (E)-(2-cyano-4-hydroxy-5-methoxy-phenyl)-ethylidene-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ammonium Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC=[N+](C1=CC(=C(C=C1C#N)O)OC)N2CCCN(CC2)C(=O)N3CCOCC3

Isomeric SMILES

C/C=[N+](\C1=CC(=C(C=C1C#N)O)OC)/N2CCCN(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H27N5O4/c1-3-25(17-14-19(28-2)18(26)13-16(17)15-21)24-6-4-5-22(7-8-24)20(27)23-9-11-29-12-10-23/h3,13-14H,4-12H2,1-2H3/p+1/b25-3+