8-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6,9-bis(oxidanylidene)-1,2,3,5,7,8-hexahydropyrazolo[1,2-a][1,2]diazepine-1-carboxylate

Systemtic Name: 8-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-6,9-bis(oxidanylidene)-1,2,3,5,7,8-hexahydropyrazolo[1,2-a][1,2]diazepine-1-carboxylate Openeye Name: 8-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-6,9-dioxo-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]diazepine-1-carboxylate CAS Name: 8-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6,9-dioxo-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]diazepine-1-carboxylate IUPAC Name: 8-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6,9-dioxo-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]diazepine-1-carboxylate Traditional Name: 8-[(1-carbethoxy-3-phenyl-propyl)amino]-6,9-diketo-1,2,3,5,7,8-hexahydropyrazolo[1,2-a]diazepine-1-carboxylate Formula: C21H26N3O6- MolecularWeight: 416.44764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(=O)CN3CCC(N3C2=O)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(=O)CN3CCC(N3C2=O)C(=O)[O-]

InChI

InChI=1S/C21H27N3O6/c1-2-30-21(29)16(9-8-14-6-4-3-5-7-14)22-17-12-15(25)13-23-11-10-18(20(27)28)24(23)19(17)26/h3-7,16-18,22H,2,8-13H2,1H3,(H,27,28)/p-1