2-cyclopropyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-cyclopropyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-cyclopropyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-cyclopropyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-cyclopropyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-cyclopropyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4CC4

InChI

InChI=1S/C18H17N3O/c1-22-14-10-8-13(9-11-14)18-20-16-5-3-2-4-15(16)19-17(21-18)12-6-7-12/h2-5,8-12H,6-7H2,1H3,(H,19,20,21)