N-[N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-N-(4-oxidanylidene-1H-quinazolin-6-yl)carbamimidoyl]benzamide

Systemtic Name: N-[N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-N-(4-oxidanylidene-1H-quinazolin-6-yl)carbamimidoyl]benzamide Openeye Name: N-[N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-N-(4-oxo-1H-quinazolin-6-yl)carbamimidoyl]benzamide CAS Name: N-[[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]imino-[(4-oxo-1H-quinazolin-6-yl)amino]methyl]benzamide IUPAC Name: N-[N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-N-(4-oxo-1H-quinazolin-6-yl)carbamimidoyl]benzamide Traditional Name: N-[N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-N-(4-keto-1H-quinazolin-6-yl)amidino]benzamide Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC2=CC3=C(C=C2)NC=NC3=O)NC(=O)C4=CC=CC=C4)CC(=O)N5CCCC5

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC2=CC3=C(C=C2)NC=NC3=O)NC(=O)C4=CC=CC=C4)CC(=O)N5CCCC5

InChI

InChI=1S/C28H31N7O4/c36-24(34-13-6-7-14-34)17-35-15-5-4-10-23(27(35)39)32-28(33-25(37)19-8-2-1-3-9-19)31-20-11-12-22-21(16-20)26(38)30-18-29-22/h1-3,8-9,11-12,16,18,23H,4-7,10,13-15,17H2,(H,29,30,38)(H2,31,32,33,37)