1-butyl-3-[(E)-1-[4-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]urea

Systemtic Name: 1-butyl-3-[(E)-1-[4-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]urea Openeye Name: 1-butyl-3-[(E)-1-[4-[(4-oxo-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]urea CAS Name: 1-butyl-3-[(E)-1-[4-[(4-oxo-3-phenyl-1-phthalazinyl)amino]phenyl]ethylideneamino]urea IUPAC Name: 1-butyl-3-[(E)-1-[4-[(4-oxo-3-phenylphthalazin-1-yl)amino]phenyl]ethylideneamino]urea Traditional Name: 1-butyl-3-[(E)-1-[4-[(4-keto-3-phenyl-phthalazin-1-yl)amino]phenyl]ethylideneamino]urea Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NN=C(C)C1=CC=C(C=C1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)N/N=C(\C)/C1=CC=C(C=C1)NC2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H28N6O2/c1-3-4-18-28-27(35)31-30-19(2)20-14-16-21(17-15-20)29-25-23-12-8-9-13-24(23)26(34)33(32-25)22-10-6-5-7-11-22/h5-17H,3-4,18H2,1-2H3,(H,29,32)(H2,28,31,35)/b30-19+