N-(2-acetamidoethyl)-2-(4-chloranyl-3-methoxy-phenyl)-2-methyl-propanamide; 2-pyridin-4-yl-3,5-diazabicyclo[2.1.0]penta-1,3-diene

Systemtic Name: N-(2-acetamidoethyl)-2-(4-chloranyl-3-methoxy-phenyl)-2-methyl-propanamide; 2-pyridin-4-yl-3,5-diazabicyclo[2.1.0]penta-1,3-diene Openeye Name: N-(2-acetamidoethyl)-2-(4-chloro-3-methoxy-phenyl)-2-methyl-propanamide; 2-(4-pyridyl)-3,5-diazabicyclo[2.1.0]penta-1,3-diene CAS Name: N-(2-acetamidoethyl)-2-(4-chloro-3-methoxyphenyl)-2-methylpropanamide; 2-pyridin-4-yl-3,5-diazabicyclo[2.1.0]penta-1,3-diene IUPAC Name: N-(2-acetamidoethyl)-2-(4-chloro-3-methoxyphenyl)-2-methylpropanamide; 2-pyridin-4-yl-3,5-diazabicyclo[2.1.0]penta-1,3-diene Traditional Name: N-(2-acetamidoethyl)-2-(4-chloro-3-methoxy-phenyl)-2-methyl-propionamide; 2-(4-pyridyl)-3,5-diazabicyclo[2.1.0]penta-1,3-diene Formula: C23H26ClN5O3 MolecularWeight: 455.93724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C(C)(C)C1=CC(=C(C=C1)Cl)OC.C1=CN=CC=C1C2=C3C(=N2)N3

Isomeric SMILES

CC(=O)NCCNC(=O)C(C)(C)C1=CC(=C(C=C1)Cl)OC.C1=CN=CC=C1C2=C3C(=N2)N3

InChI

InChI=1S/C15H21ClN2O3.C8H5N3/c1-10(19)17-7-8-18-14(20)15(2,3)11-5-6-12(16)13(9-11)21-4;1-3-9-4-2-5(1)6-7-8(10-6)11-7/h5-6,9H,7-8H2,1-4H3,(H,17,19)(H,18,20);1-4H,(H,10,11)