5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H22N4O/c1-18-5-14-25-24(16-18)26(30-31-27(29-25)22-4-3-15-28-17-22)21-8-6-19(7-9-21)20-10-12-23(32-2)13-11-20/h3-17,30H,1-2H3