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

Systemtic Name: 3-azanyl-8-(3,4-dimethoxyphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Openeye Name: 3-amino-8-(3,4-dimethoxyphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one CAS Name: 3-amino-8-(3,4-dimethoxyphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one IUPAC Name: 3-amino-8-(3,4-dimethoxyphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Traditional Name: 3-amino-8-(3,4-dimethoxyphenyl)-1,7,8,9-tetrahydro-1,2,4-benzotriazepin-6-one Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C=NC(=NN3)N)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C=NC(=NN3)N)C(=O)C2)OC

InChI

InChI=1S/C16H18N4O3/c1-22-14-4-3-9(7-15(14)23-2)10-5-12-11(13(21)6-10)8-18-16(17)20-19-12/h3-4,7-8,10,19H,5-6H2,1-2H3,(H2,17,20)