dimethyl 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioate

Systemtic Name: dimethyl 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioate Openeye Name: dimethyl 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioate CAS Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)propanedioate Traditional Name: 2-(3-ethyl-1-methyl-4-phenyl-2,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-ylidene)malonic acid dimethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NCC(=C(C(=O)OC)C(=O)OC)N=C2N(N1)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C2C(=NCC(=C(C(=O)OC)C(=O)OC)N=C2N(N1)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-5-13-15-17(12-9-7-6-8-10-12)21-11-14(22-18(15)24(2)23-13)16(19(25)27-3)20(26)28-4/h6-10,23H,5,11H2,1-4H3