3-azanyl-8-(2-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one

Systemtic Name: 3-azanyl-8-(2-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Openeye Name: 3-amino-8-(2-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one CAS Name: 3-amino-8-(2-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one IUPAC Name: 3-amino-8-(2-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Traditional Name: 3-amino-8-(2-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Formula: C14H13ClN4O MolecularWeight: 288.73222

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NN=C(N=C2)N)C3=CC=CC=C3Cl

Isomeric SMILES

C1C(CC(=O)C2=C1NN=C(N=C2)N)C3=CC=CC=C3Cl

InChI

InChI=1S/C14H13ClN4O/c15-11-4-2-1-3-9(11)8-5-12-10(13(20)6-8)7-17-14(16)19-18-12/h1-4,7-8,18H,5-6H2,(H2,16,19)