N-tert-butyl-2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-oxo-3-phenyl-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-keto-3-phenyl-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3/c1-26(2,3)27-22(32)18-29-14-9-15-30(17-16-29)25(34)23-20-12-7-8-13-21(20)24(33)31(28-23)19-10-5-4-6-11-19/h4-8,10-13H,9,14-18H2,1-3H3,(H,27,32)