N-[4-(azepan-1-yl)phenyl]-2-[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[5-cyano-3-ethyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3-ethyl-2,6-dioxo-pyrimidin-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(5-cyano-3-ethyl-2,6-dioxo-1-pyrimidinyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(5-cyano-3-ethyl-2,6-diketo-pyrimidin-1-yl)acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CCN1C=C(C(=O)N(C1=O)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C#N

InChI

InChI=1S/C21H25N5O3/c1-2-24-14-16(13-22)20(28)26(21(24)29)15-19(27)23-17-7-9-18(10-8-17)25-11-5-3-4-6-12-25/h7-10,14H,2-6,11-12,15H2,1H3,(H,23,27)