3-methyl-2H-1,2,3,5-benzotetrazepin-4-one

Systemtic Name: 3-methyl-2H-1,2,3,5-benzotetrazepin-4-one Openeye Name: 3-methyl-2H-1,2,3,5-benzotetrazepin-4-one CAS Name: 3-methyl-2H-1,2,3,5-benzotetrazepin-4-one IUPAC Name: 3-methyl-2H-1,2,3,5-benzotetrazepin-4-one Traditional Name: 3-methyl-2H-1,2,3,5-benzotetrazepin-4-one Formula: C8H8N4O MolecularWeight: 176.17532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N=C2C=CC=CC2=NN1

Isomeric SMILES

CN1C(=O)N=C2C=CC=CC2=NN1

InChI

InChI=1S/C8H8N4O/c1-12-8(13)9-6-4-2-3-5-7(6)10-11-12/h2-5,11H,1H3