6,7-diethoxy-4-[[1-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-7-yl]amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-diethoxy-4-[[1-methyl-2,5-bis(oxidanylidene)-3,4-dihydro-1,4-benzodiazepin-7-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-diethoxy-4-[(1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-7-yl)amino]quinoline-3-carbonitrile CAS Name: 6,7-diethoxy-4-[(1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-7-yl)amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-diethoxy-4-[(1-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-7-yl)amino]quinoline-3-carbonitrile Traditional Name: 4-[(2,5-diketo-1-methyl-3,4-dihydro-1,4-benzodiazepin-7-yl)amino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C24H23N5O4 MolecularWeight: 445.47052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)N(C(=O)CNC4=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)N(C(=O)CNC4=O)C)OCC

InChI

InChI=1S/C24H23N5O4/c1-4-32-20-9-16-18(10-21(20)33-5-2)26-12-14(11-25)23(16)28-15-6-7-19-17(8-15)24(31)27-13-22(30)29(19)3/h6-10,12H,4-5,13H2,1-3H3,(H,26,28)(H,27,31)