2-[[2-(3-azanylazepan-1-yl)-2-oxidanylidene-ethyl]-(5-phenylmethoxypyridin-2-yl)amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[2-(3-azanylazepan-1-yl)-2-oxidanylidene-ethyl]-(5-phenylmethoxypyridin-2-yl)amino]-N-phenethyl-ethanamide Openeye Name: 2-[[2-(3-aminoazepan-1-yl)-2-oxo-ethyl]-(5-benzyloxy-2-pyridyl)amino]-N-phenethyl-acetamide CAS Name: 2-[[2-(3-amino-1-azepanyl)-2-oxoethyl]-(5-phenylmethoxy-2-pyridinyl)amino]-N-phenethylacetamide IUPAC Name: 2-[[2-(3-aminoazepan-1-yl)-2-oxoethyl]-(5-phenylmethoxypyridin-2-yl)amino]-N-phenethylacetamide Traditional Name: 2-[[2-(3-aminoazepan-1-yl)-2-keto-ethyl]-(5-benzoxy-2-pyridyl)amino]-N-phenethyl-acetamide Formula: C30H37N5O3 MolecularWeight: 515.64648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)N)C(=O)CN(CC(=O)NCCC2=CC=CC=C2)C3=NC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC(C1)N)C(=O)CN(CC(=O)NCCC2=CC=CC=C2)C3=NC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H37N5O3/c31-26-13-7-8-18-34(20-26)30(37)22-35(21-29(36)32-17-16-24-9-3-1-4-10-24)28-15-14-27(19-33-28)38-23-25-11-5-2-6-12-25/h1-6,9-12,14-15,19,26H,7-8,13,16-18,20-23,31H2,(H,32,36)