tert-butyl 4-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyridin-2-yl]carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pyridin-2-yl]carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridine-2-carbonyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]-2-pyridinyl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]pyridine-2-carbonyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(4-keto-3H-phthalazin-1-yl)methyl]picolinoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H29N5O4/c1-25(2,3)34-24(33)30-12-6-11-29(13-14-30)23(32)21-16-17(9-10-26-21)15-20-18-7-4-5-8-19(18)22(31)28-27-20/h4-5,7-10,16H,6,11-15H2,1-3H3,(H,28,31)