4-[1-azanyl-2-(2-imidazol-1-ylethylamino)-2-oxidanylidene-ethyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 4-[1-azanyl-2-(2-imidazol-1-ylethylamino)-2-oxidanylidene-ethyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[1-amino-2-(2-imidazol-1-ylethylamino)-2-oxo-ethyl]-N-(4-pyridyl)benzamide CAS Name: 4-[1-amino-2-[2-(1-imidazolyl)ethylamino]-2-oxoethyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[1-amino-2-(2-imidazol-1-ylethylamino)-2-oxoethyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[1-amino-2-(2-imidazol-1-ylethylamino)-2-keto-ethyl]-N-(4-pyridyl)benzamide Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)NCCN2C=CN=C2)N)C(=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)NCCN2C=CN=C2)N)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C19H20N6O2/c20-17(19(27)23-10-12-25-11-9-22-13-25)14-1-3-15(4-2-14)18(26)24-16-5-7-21-8-6-16/h1-9,11,13,17H,10,12,20H2,(H,23,27)(H,21,24,26)