1-[2-[2-[(4-chloranylphthalazin-1-yl)amino]ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[2-[(4-chloranylphthalazin-1-yl)amino]ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[2-[(4-chlorophthalazin-1-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[2-[(4-chloro-1-phthalazinyl)amino]ethylamino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[2-[(4-chlorophthalazin-1-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[2-[(4-chlorophthalazin-1-yl)amino]ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C17H19ClN6O MolecularWeight: 358.82536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCNC2=NN=C(C3=CC=CC=C32)Cl)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CNCCNC2=NN=C(C3=CC=CC=C32)Cl)C#N

InChI

InChI=1S/C17H19ClN6O/c18-16-13-5-1-2-6-14(13)17(23-22-16)21-8-7-20-11-15(25)24-9-3-4-12(24)10-19/h1-2,5-6,12,20H,3-4,7-9,11H2,(H,21,23)