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

Systemtic Name: 3-azanyl-8-(4-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Openeye Name: 3-amino-8-(4-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one CAS Name: 3-amino-8-(4-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one IUPAC Name: 3-amino-8-(4-chlorophenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Traditional Name: 3-amino-8-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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