1-[2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]ethanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]acetyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]acetyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]acetyl]pyrrolidine-2-carboxamide Formula: C24H29N7O4 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4C(=O)N)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N4CCCC4C(=O)N)NC#N

InChI

InChI=1S/C24H29N7O4/c1-15-11-16-12-17(7-8-20(16)35-15)28-24(27-14-25)29-18-5-2-3-9-30(23(18)34)13-21(32)31-10-4-6-19(31)22(26)33/h7-8,11-12,18-19H,2-6,9-10,13H2,1H3,(H2,26,33)(H2,27,28,29)