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

Systemtic Name: (E)-(2-cyano-5-methoxy-4-phenylmethoxy-phenyl)-ethylidene-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)azanium Openeye Name: (E)-(4-benzyloxy-2-cyano-5-methoxy-phenyl)-ethylidene-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ammonium CAS Name: (E)-(2-cyano-5-methoxy-4-phenylmethoxyphenyl)-ethylidene-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]ammonium IUPAC Name: (E)-(2-cyano-5-methoxy-4-phenylmethoxyphenyl)-ethylidene-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]azanium Traditional Name: (E)-(4-benzoxy-2-cyano-5-methoxy-phenyl)-ethylidene-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]ammonium Formula: C27H34N5O4+ MolecularWeight: 492.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC=[N+](C1=CC(=C(C=C1C#N)OCC2=CC=CC=C2)OC)N3CCCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

C/C=[N+](\C1=CC(=C(C=C1C#N)OCC2=CC=CC=C2)OC)/N3CCCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C27H34N5O4/c1-3-32(31-11-7-10-29(12-13-31)27(33)30-14-16-35-17-15-30)24-19-25(34-2)26(18-23(24)20-28)36-21-22-8-5-4-6-9-22/h3-6,8-9,18-19H,7,10-17,21H2,1-2H3/q+1/b32-3+