N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(2-oxidanylidene-1,3-diazinan-5-yl)benzamide

Systemtic Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(2-oxidanylidene-1,3-diazinan-5-yl)benzamide Openeye Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(2-oxohexahydropyrimidin-5-yl)benzamide CAS Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(2-oxo-1,3-diazinan-5-yl)benzamide IUPAC Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(2-oxo-1,3-diazinan-5-yl)benzamide Traditional Name: N-[2-(3-cyano-1H-indol-5-yl)ethyl]-4-(2-ketohexahydropyrimidin-5-yl)benzamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC(=O)N1)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N

Isomeric SMILES

C1C(CNC(=O)N1)C2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)NC=C4C#N

InChI

InChI=1S/C22H21N5O2/c23-10-17-11-25-20-6-1-14(9-19(17)20)7-8-24-21(28)16-4-2-15(3-5-16)18-12-26-22(29)27-13-18/h1-6,9,11,18,25H,7-8,12-13H2,(H,24,28)(H2,26,27,29)