1-[2-[2-(1,3-benzoxazol-2-ylamino)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[2-(1,3-benzoxazol-2-ylamino)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[2-(1,3-benzoxazol-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[2-(1,3-benzoxazol-2-ylamino)ethylamino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[2-(1,3-benzoxazol-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[2-(1,3-benzoxazol-2-ylamino)ethylamino]acetyl]pyrrolidine-2-carbonitrile Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCNC2=NC3=CC=CC=C3O2)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CNCCNC2=NC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C16H19N5O2/c17-10-12-4-3-9-21(12)15(22)11-18-7-8-19-16-20-13-5-1-2-6-14(13)23-16/h1-2,5-6,12,18H,3-4,7-9,11H2,(H,19,20)