2-[2-(benzotriazol-1-yl)ethanoyl-butyl-amino]-N-(2-methoxyethyl)-2-pyridin-4-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-butyl-amino]-N-(2-methoxyethyl)-2-pyridin-4-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-butyl-amino]-N-(2-methoxyethyl)-2-(4-pyridyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-butylamino]-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-butyl-amino]-N-(2-methoxyethyl)-2-(4-pyridyl)acetamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C1=CC=NC=C1)C(=O)NCCOC)C(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCN(C(C1=CC=NC=C1)C(=O)NCCOC)C(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H28N6O3/c1-3-4-14-27(20(29)16-28-19-8-6-5-7-18(19)25-26-28)21(17-9-11-23-12-10-17)22(30)24-13-15-31-2/h5-12,21H,3-4,13-16H2,1-2H3,(H,24,30)