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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C=CC(=O)NC2=CC3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5C=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)/C=C/C(=O)NC2=CC3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5C=C4

InChI

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