N-[N'-(3-imidazol-1-ylpropyl)-N-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide

Systemtic Name: N-[N'-(3-imidazol-1-ylpropyl)-N-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide Openeye Name: N-[N'-(3-imidazol-1-ylpropyl)-N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]carbamimidoyl]benzamide CAS Name: N-[3-(1-imidazolyl)propylimino-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]amino]methyl]benzamide IUPAC Name: N-[N'-(3-imidazol-1-ylpropyl)-N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]benzamide Traditional Name: N-[N'-(3-imidazol-1-ylpropyl)-N-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]amidino]benzamide Formula: C26H35N7O3 MolecularWeight: 493.6012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=NCCCN2C=CN=C2)NC(=O)C3=CC=CC=C3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=NCCCN2C=CN=C2)NC(=O)C3=CC=CC=C3)CC(=O)N4CCCC4

InChI

InChI=1S/C26H35N7O3/c34-23(32-15-6-7-16-32)19-33-17-5-4-11-22(25(33)36)29-26(28-12-8-14-31-18-13-27-20-31)30-24(35)21-9-2-1-3-10-21/h1-3,9-10,13,18,20,22H,4-8,11-12,14-17,19H2,(H2,28,29,30,35)