N-[7-(4-cyanophenyl)-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepin-11-yl]ethanamide

Systemtic Name: N-[7-(4-cyanophenyl)-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepin-11-yl]ethanamide Openeye Name: N-[7-(4-cyanophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepin-11-yl]acetamide CAS Name: N-[7-(4-cyanophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepin-11-yl]acetamide IUPAC Name: N-[7-(4-cyanophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepin-11-yl]acetamide Traditional Name: N-[7-(4-cyanophenyl)-3-keto-5H-pyrimido[1,2-a][1,4]benzodiazepin-11-yl]acetamide Formula: C21H15N5O2 MolecularWeight: 369.3761

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1N3C=CC(=O)N=C3CN=C2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1N3C=CC(=O)N=C3CN=C2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15N5O2/c1-13(27)24-17-4-2-3-16-20(15-7-5-14(11-22)6-8-15)23-12-18-25-19(28)9-10-26(18)21(16)17/h2-10H,12H2,1H3,(H,24,27)