2-cyclopropyl-8-fluoranyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-cyclopropyl-8-fluoranyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-cyclopropyl-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-cyclopropyl-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-cyclopropyl-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-cyclopropyl-8-fluoro-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C18H16FN3O MolecularWeight: 309.337543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4CC4

InChI

InChI=1S/C18H16FN3O/c1-23-14-7-4-12(5-8-14)17-20-15-9-6-13(19)10-16(15)21-18(22-17)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,21,22)