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

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-(cyclopropylmethyl)-N-propyl-ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-(cyclopropylmethyl)-N-propyl-acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-(cyclopropylmethyl)-N-propylacetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-(cyclopropylmethyl)-N-propylacetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-(cyclopropylmethyl)-N-propyl-acetamide Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)CN2CCCCC(C2=O)N=C(NC#N)NC3=CC4=C(C=C3)OC(=C4)C

Isomeric SMILES

CCCN(CC1CC1)C(=O)CN2CCCCC(C2=O)N=C(NC#N)NC3=CC4=C(C=C3)OC(=C4)C

InChI

InChI=1S/C26H34N6O3/c1-3-11-31(15-19-7-8-19)24(33)16-32-12-5-4-6-22(25(32)34)30-26(28-17-27)29-21-9-10-23-20(14-21)13-18(2)35-23/h9-10,13-14,19,22H,3-8,11-12,15-16H2,1-2H3,(H2,28,29,30)