(3E,5E)-3,5-bis[[4-(aziridin-1-yl)phenyl]methylidene]-1-prop-2-enoyl-piperidin-4-one

Systemtic Name: (3E,5E)-3,5-bis[[4-(aziridin-1-yl)phenyl]methylidene]-1-prop-2-enoyl-piperidin-4-one Openeye Name: (3E,5E)-3,5-bis[[4-(aziridin-1-yl)phenyl]methylene]-1-prop-2-enoyl-piperidin-4-one CAS Name: (3E,5E)-3,5-bis[[4-(1-aziridinyl)phenyl]methylidene]-1-(1-oxoprop-2-enyl)-4-piperidinone IUPAC Name: (3E,5E)-3,5-bis[[4-(aziridin-1-yl)phenyl]methylidene]-1-prop-2-enoylpiperidin-4-one Traditional Name: (3E,5E)-1-acryloyl-3,5-bis(4-ethyleniminobenzylidene)-4-piperidone Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CC(=CC2=CC=C(C=C2)N3CC3)C(=O)C(=CC4=CC=C(C=C4)N5CC5)C1

Isomeric SMILES

C=CC(=O)N1C/C(=C\C2=CC=C(C=C2)N3CC3)/C(=O)/C(=C/C4=CC=C(C=C4)N5CC5)/C1

InChI

InChI=1S/C26H25N3O2/c1-2-25(30)29-17-21(15-19-3-7-23(8-4-19)27-11-12-27)26(31)22(18-29)16-20-5-9-24(10-6-20)28-13-14-28/h2-10,15-16H,1,11-14,17-18H2/b21-15+,22-16+