7-[4-(dipropylamino)phenyl]-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile

Systemtic Name: 7-[4-(dipropylamino)phenyl]-3-oxidanylidene-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Openeye Name: 7-[4-(dipropylamino)phenyl]-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile CAS Name: 7-[4-(dipropylamino)phenyl]-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile IUPAC Name: 7-[4-(dipropylamino)phenyl]-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Traditional Name: 7-[4-(dipropylamino)phenyl]-3-keto-5H-pyrimido[1,2-a][1,4]benzodiazepine-9-carbonitrile Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=C(C=C1)C2=NCC3=NC(=O)C=CN3C4=C2C=C(C=C4)C#N

Isomeric SMILES

CCCN(CCC)C1=CC=C(C=C1)C2=NCC3=NC(=O)C=CN3C4=C2C=C(C=C4)C#N

InChI

InChI=1S/C25H25N5O/c1-3-12-29(13-4-2)20-8-6-19(7-9-20)25-21-15-18(16-26)5-10-22(21)30-14-11-24(31)28-23(30)17-27-25/h5-11,14-15H,3-4,12-13,17H2,1-2H3