N-(3-azanylpropyl)-N-[4-(1,2-diaziridin-3-yl)phenyl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-[4-(1,2-diaziridin-3-yl)phenyl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-aminopropyl)-N-[4-(diaziridin-3-yl)benzoyl]pyrrolidine-2-carboxamide CAS Name: N-(3-aminopropyl)-N-[[4-(3-diaziridinyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[4-(diaziridin-3-yl)benzoyl]pyrrolidine-2-carboxamide Traditional Name: N-(3-aminopropyl)-N-[4-(diaziridin-3-yl)benzoyl]pyrrolidine-2-carboxamide Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(CCCN)C(=O)C2=CC=C(C=C2)C3NN3

Isomeric SMILES

C1CC(NC1)C(=O)N(CCCN)C(=O)C2=CC=C(C=C2)C3NN3

InChI

InChI=1S/C16H23N5O2/c17-8-2-10-21(16(23)13-3-1-9-18-13)15(22)12-6-4-11(5-7-12)14-19-20-14/h4-7,13-14,18-20H,1-3,8-10,17H2