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N,N-bis(cyanomethyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

N,N-bis(cyanomethyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name:N,N-bis(cyanomethyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide
Openeye Name:N,N-bis(cyanomethyl)-4-oxo-3H-phthalazine-1-carboxamide
CAS Name:N,N-bis(cyanomethyl)-4-oxo-3H-phthalazine-1-carboxamide
IUPAC Name:N,N-bis(cyanomethyl)-4-oxo-3H-phthalazine-1-carboxamide
Traditional Name:N,N-bis(cyanomethyl)-4-keto-3H-phthalazine-1-carboxamide
Formula: C13H9N5O2
MolecularWeight: 267.24286
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)N(CC#N)CC#N


Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)N(CC#N)CC#N


InChI

InChI=1S/C13H9N5O2/c14-5-7-18(8-6-15)13(20)11-9-3-1-2-4-10(9)12(19)17-16-11/h1-4H,7-8H2,(H,17,19)


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