3-[[4-(1,8-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,8-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[[4-[1,8-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C(=O)C3=NC4=C(C=CC=N4)C=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C(=O)C3=NC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C22H19N5O2/c23-15-16-4-1-5-18(14-16)21(28)26-10-3-11-27(13-12-26)22(29)19-8-7-17-6-2-9-24-20(17)25-19/h1-2,4-9,14H,3,10-13H2