5-(4-butoxyphenyl)-7-chloranyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-chloranyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-chloro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-chloro-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-chloro-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-chloro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H21ClN4O MolecularWeight: 404.89204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)Cl

InChI

InChI=1S/C23H21ClN4O/c1-2-3-13-29-19-9-6-16(7-10-19)22-20-14-18(24)8-11-21(20)26-23(28-27-22)17-5-4-12-25-15-17/h4-12,14-15,27H,2-3,13H2,1H3