N,N-dimethyl-2-[4-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-(3-benzyl-4-oxo-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: N,N-dimethyl-2-[4-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-[4-(3-benzyl-4-oxophthalazine-1-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(3-benzyl-4-keto-phthalazine-1-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-27(2)22(31)18-28-13-8-14-29(16-15-28)25(33)23-20-11-6-7-12-21(20)24(32)30(26-23)17-19-9-4-3-5-10-19/h3-7,9-12H,8,13-18H2,1-2H3