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

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[3-(methylamino)propyl]ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-[3-(methylamino)propyl]acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-[3-(methylamino)propyl]acetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-[3-(methylamino)propyl]acetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-[3-(methylamino)propyl]acetamide Formula: C23H31N7O3 MolecularWeight: 453.53734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCCCNC)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCCCNC)NC#N

InChI

InChI=1S/C23H31N7O3/c1-16-12-17-13-18(7-8-20(17)33-16)28-23(27-15-24)29-19-6-3-4-11-30(22(19)32)14-21(31)26-10-5-9-25-2/h7-8,12-13,19,25H,3-6,9-11,14H2,1-2H3,(H,26,31)(H2,27,28,29)