3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromen-4-one

Systemtic Name: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromen-4-one Openeye Name: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromen-4-one CAS Name: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-1-benzopyran-4-one IUPAC Name: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromen-4-one Traditional Name: 3-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)chromone Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=COC5=CC=CC=C5C4=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=COC5=CC=CC=C5C4=O)OCC

InChI

InChI=1S/C25H24N2O4/c1-3-29-22-12-16-14-26-24(18-15-31-21-10-6-5-8-17(21)25(18)28)19-9-7-11-27(19)20(16)13-23(22)30-4-2/h5-13,15,24,26H,3-4,14H2,1-2H3