1-(azepan-1-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propan-1-one Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H26N4O/c1-15-17(11-12-20(26)24-13-7-3-4-8-14-24)16(2)25-21(22-15)18-9-5-6-10-19(18)23-25/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3