N-butyl-4-(4-carbamimidoylphenyl)carbonyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-(4-carbamimidoylphenyl)carbonyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-(4-carbamimidoylbenzoyl)piperazine-1-carboxamide CAS Name: N-butyl-4-[(4-carbamimidoylphenyl)-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-(4-carbamimidoylbenzoyl)piperazine-1-carboxamide Traditional Name: 4-(4-amidinobenzoyl)-N-butyl-piperazine-1-carboxamide Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H25N5O2/c1-2-3-8-20-17(24)22-11-9-21(10-12-22)16(23)14-6-4-13(5-7-14)15(18)19/h4-7H,2-3,8-12H2,1H3,(H3,18,19)(H,20,24)