(E)-N-chrysen-6-yl-4-(4-methylpiperazin-1-yl)-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-N-chrysen-6-yl-4-(4-methylpiperazin-1-yl)-4-oxidanylidene-but-2-enamide Openeye Name: (E)-N-chrysen-6-yl-4-(4-methylpiperazin-1-yl)-4-oxo-but-2-enamide CAS Name: (E)-N-(6-chrysenyl)-4-(4-methyl-1-piperazinyl)-4-oxo-2-butenamide IUPAC Name: (E)-N-chrysen-6-yl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide Traditional Name: (E)-N-chrysen-6-yl-4-keto-4-(4-methylpiperazino)but-2-enamide Formula: C27H25N3O2 MolecularWeight: 423.5063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C=CC(=O)NC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52

Isomeric SMILES

CN1CCN(CC1)C(=O)/C=C/C(=O)NC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52

InChI

InChI=1S/C27H25N3O2/c1-29-14-16-30(17-15-29)27(32)13-12-26(31)28-25-18-24-20-7-3-2-6-19(20)10-11-22(24)21-8-4-5-9-23(21)25/h2-13,18H,14-17H2,1H3,(H,28,31)/b13-12+