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

Systemtic Name: 3-azanyl-8-(4-propan-2-ylphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Openeye Name: 3-amino-8-(4-isopropylphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one CAS Name: 3-amino-8-(4-propan-2-ylphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one IUPAC Name: 3-amino-8-(4-propan-2-ylphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Traditional Name: 3-amino-8-p-cumenyl-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CC3=C(C=NC(=NN3)N)C(=O)C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2CC3=C(C=NC(=NN3)N)C(=O)C2

InChI

InChI=1S/C17H20N4O/c1-10(2)11-3-5-12(6-4-11)13-7-15-14(16(22)8-13)9-19-17(18)21-20-15/h3-6,9-10,13,20H,7-8H2,1-2H3,(H2,18,21)