phenyl-[1-(phenylcarbonyl)-3H-1,2,5-triazepin-2-yl]methanone hydrochloride

Systemtic Name: phenyl-[1-(phenylcarbonyl)-3H-1,2,5-triazepin-2-yl]methanone hydrochloride Openeye Name: (1-benzoyl-3H-1,2,5-triazepin-2-yl)-phenyl-methanone hydrochloride CAS Name: (1-benzoyl-3H-1,2,5-triazepin-2-yl)-phenylmethanone hydrochloride IUPAC Name: (1-benzoyl-3H-1,2,5-triazepin-2-yl)-phenylmethanone hydrochloride Traditional Name: (1-benzoyl-3H-1,2,5-triazepin-2-yl)-phenyl-methanone hydrochloride Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NC=CN(N1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1C=NC=CN(N1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H15N3O2.ClH/c22-17(15-7-3-1-4-8-15)20-13-11-19-12-14-21(20)18(23)16-9-5-2-6-10-16;/h1-13H,14H2;1H