2-[4-(1,5-dimethylpyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(1,5-dimethylpyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(1,5-dimethylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,5-dimethylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(1,5-dimethylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]nicotinonitrile Formula: C17H20N6O MolecularWeight: 324.3803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H20N6O/c1-13-11-15(20-21(13)2)17(24)23-8-4-7-22(9-10-23)16-14(12-18)5-3-6-19-16/h3,5-6,11H,4,7-10H2,1-2H3