N-(4-carbamimidoylphenyl)-N-[4-(methylamino)-4-oxidanylidene-butyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-carbamimidoylphenyl)-N-[4-(methylamino)-4-oxidanylidene-butyl]pyrrolidine-2-carboxamide Openeye Name: N-(4-carbamimidoylphenyl)-N-[4-(methylamino)-4-oxo-butyl]pyrrolidine-2-carboxamide CAS Name: N-(4-carbamimidoylphenyl)-N-[4-(methylamino)-4-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-carbamimidoylphenyl)-N-[4-(methylamino)-4-oxobutyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinophenyl)-N-[4-keto-4-(methylamino)butyl]pyrrolidine-2-carboxamide Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCN(C1=CC=C(C=C1)C(=N)N)C(=O)C2CCCN2

Isomeric SMILES

CNC(=O)CCCN(C1=CC=C(C=C1)C(=N)N)C(=O)C2CCCN2

InChI

InChI=1S/C17H25N5O2/c1-20-15(23)5-3-11-22(17(24)14-4-2-10-21-14)13-8-6-12(7-9-13)16(18)19/h6-9,14,21H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)