3-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[[4-[1,6-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(1,6-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=C3)C=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC(=C2)C#N)C(=O)C3=NC4=C(C=C3)C=NC=C4

InChI

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