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

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-methyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-methyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-methyl-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-methyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-methyl-N-(3-phenylpropyl)acetamide Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N(C)CCCC4=CC=CC=C4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)N(C)CCCC4=CC=CC=C4)NC#N

InChI

InChI=1S/C29H34N6O3/c1-21-17-23-18-24(13-14-26(23)38-21)32-29(31-20-30)33-25-12-6-7-16-35(28(25)37)19-27(36)34(2)15-8-11-22-9-4-3-5-10-22/h3-5,9-10,13-14,17-18,25H,6-8,11-12,15-16,19H2,1-2H3,(H2,31,32,33)