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

Systemtic Name: 2-[[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[1,6-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC3=C(C=C2)C=NC=C3)CC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC3=C(C=C2)C=NC=C3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5O/c23-14-17-4-1-2-5-19(17)16-26-10-3-11-27(13-12-26)22(28)21-7-6-18-15-24-9-8-20(18)25-21/h1-2,4-9,15H,3,10-13,16H2