4-(3-azanylpyrrolidin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(3-azanylpyrrolidin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(3-aminopyrrolidine-1-carbonyl)benzonitrile CAS Name: 4-[(3-amino-1-pyrrolidinyl)-oxomethyl]benzonitrile IUPAC Name: 4-(3-aminopyrrolidine-1-carbonyl)benzonitrile Traditional Name: 4-(3-aminopyrrolidine-1-carbonyl)benzonitrile Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC1N)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H13N3O/c13-7-9-1-3-10(4-2-9)12(16)15-6-5-11(14)8-15/h1-4,11H,5-6,8,14H2