3,4,5-triethoxy-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Openeye Name: 3,4,5-triethoxy-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 3,4,5-triethoxy-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 3,4,5-triethoxy-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 3,4,5-triethoxy-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C3=CC=CC=C3CN4C=CC=NC4=N2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C3=CC=CC=C3CN4C=CC=NC4=N2

InChI

InChI=1S/C25H26N4O4/c1-4-31-20-14-18(15-21(32-5-2)22(20)33-6-3)24(30)27-23-19-11-8-7-10-17(19)16-29-13-9-12-26-25(29)28-23/h7-15H,4-6,16H2,1-3H3