N-[(4-carbamimidoyl-3-chloranyl-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-3-chloranyl-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-3-chloro-phenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-3-chlorophenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-3-chlorophenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-3-chloro-benzyl)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C21H30ClN5O2 MolecularWeight: 419.9482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=CC(=C(C=C3)C(=N)N)Cl

Isomeric SMILES

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=CC(=C(C=C3)C(=N)N)Cl

InChI

InChI=1S/C21H30ClN5O2/c22-17-11-14(8-9-16(17)20(23)24)12-26-21(29)18-7-4-10-27(18)19(28)13-25-15-5-2-1-3-6-15/h8-9,11,15,18,25H,1-7,10,12-13H2,(H3,23,24)(H,26,29)