phenyl N-isocyano-N'-[1-[2-[(2-methyl-1-benzofuran-5-yl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]carbamimidate

Systemtic Name: phenyl N-isocyano-N'-[1-[2-[(2-methyl-1-benzofuran-5-yl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]carbamimidate Openeye Name: 2-[3-[[(isocyanoamino)-phenoxy-methylene]amino]-2-oxo-azepan-1-yl]-N-(2-methylbenzofuran-5-yl)acetamide CAS Name: N-isocyano-N'-[1-[2-[(2-methyl-5-benzofuranyl)amino]-2-oxoethyl]-2-oxo-3-azepanyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-isocyano-N'-[1-[2-[(2-methyl-1-benzofuran-5-yl)amino]-2-oxoethyl]-2-oxoazepan-3-yl]carbamimidate Traditional Name: 2-[3-[[(isocyanoamino)-phenoxy-methylene]amino]-2-keto-azepan-1-yl]-N-(2-methylbenzofuran-5-yl)acetamide Formula: C25H25N5O4 MolecularWeight: 459.4971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=O)CN3CCCCC(C3=O)N=C(N[N+]#[C-])OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=O)CN3CCCCC(C3=O)N=C(N[N+]#[C-])OC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O4/c1-17-14-18-15-19(11-12-22(18)33-17)27-23(31)16-30-13-7-6-10-21(24(30)32)28-25(29-26-2)34-20-8-4-3-5-9-20/h3-5,8-9,11-12,14-15,21H,6-7,10,13,16H2,1H3,(H,27,31)(H,28,29)