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

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

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC3=C(C=C2)C=NC=C3)CC4=CC=CC(=C4)C#N

InChI

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