tert-butyl N-methyl-N-[5-oxidanylidene-5-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]pentyl]carbamate; 1-methylcyclopropene

Systemtic Name: tert-butyl N-methyl-N-[5-oxidanylidene-5-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]pentyl]carbamate; 1-methylcyclopropene Openeye Name: tert-butyl N-methyl-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamate; 1-methylcyclopropene CAS Name: 1-methylcyclopropene; N-methyl-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamate; 1-methylcyclopropene Traditional Name: N-[5-keto-5-[3-(4-keto-3H-phthalazin-1-yl)anilino]pentyl]-N-methyl-carbamic acid tert-butyl ester; 1-methylcyclopropene Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC1.CC(C)(C)OC(=O)N(C)CCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC1.CC(C)(C)OC(=O)N(C)CCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C25H30N4O4.C4H6/c1-25(2,3)33-24(32)29(4)15-8-7-14-21(30)26-18-11-9-10-17(16-18)22-19-12-5-6-13-20(19)23(31)28-27-22;1-4-2-3-4/h5-6,9-13,16H,7-8,14-15H2,1-4H3,(H,26,30)(H,28,31);2H,3H2,1H3