3-(4-methoxyphenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine Openeye Name: 3-(4-methoxyphenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine CAS Name: 3-(4-methoxyphenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine Traditional Name: 3-(4-methoxyphenyl)-4-methyl-1,2,3,3a-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C3C1C(NN3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C3C1C(NN3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C18H18N4O/c1-11-16-17(12-7-9-13(23-2)10-8-12)21-22-18(16)20-15-6-4-3-5-14(15)19-11/h3-10,16-17,21H,1-2H3,(H,20,22)