4-(3-carbamimidoylphenoxy)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: 4-(3-carbamimidoylphenoxy)-N-(4-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: 4-(3-carbamimidoylphenoxy)-N-(pyridin-4-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 4-(3-carbamimidoylphenoxy)-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: 4-(3-amidinophenoxy)-N-(4-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NCC2=CC=NC=C2)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1C(CNC1C(=O)NCC2=CC=NC=C2)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C18H21N5O2/c19-17(20)13-2-1-3-14(8-13)25-15-9-16(22-11-15)18(24)23-10-12-4-6-21-7-5-12/h1-8,15-16,22H,9-11H2,(H3,19,20)(H,23,24)