N-[4-(azepan-1-yl)phenyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(4-keto-1,2,3-benzotriazin-3-yl)acetamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23N5O2/c27-20(15-26-21(28)18-7-3-4-8-19(18)23-24-26)22-16-9-11-17(12-10-16)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,27)