8-bromanyl-2-(4-butoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-bromanyl-2-(4-butoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-bromo-2-(4-butoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-bromo-2-(4-butoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-bromo-2-(4-butoxyphenyl)-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-bromo-2-(4-butoxyphenyl)-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C23H21BrN4O/c1-2-3-14-29-19-7-4-16(5-8-19)22-27-21-15-18(24)6-9-20(21)26-23(28-22)17-10-12-25-13-11-17/h4-13,15H,2-3,14H2,1H3,(H,26,27,28)