2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[(4-nitrophenyl)methyl]ethanamide

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[(4-nitrophenyl)methyl]ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-[(4-nitrophenyl)methyl]acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-[(4-nitrophenyl)methyl]acetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-[(4-nitrophenyl)methyl]acetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-(4-nitrobenzyl)acetamide Formula: C26H27N7O5 MolecularWeight: 517.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCC4=CC=C(C=C4)[N+](=O)[O-])NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCC4=CC=C(C=C4)[N+](=O)[O-])NC#N

InChI

InChI=1S/C26H27N7O5/c1-17-12-19-13-20(7-10-23(19)38-17)30-26(29-16-27)31-22-4-2-3-11-32(25(22)35)15-24(34)28-14-18-5-8-21(9-6-18)33(36)37/h5-10,12-13,22H,2-4,11,14-15H2,1H3,(H,28,34)(H2,29,30,31)