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

Systemtic Name: 5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-5-[4-(4-methoxyphenyl)phenyl]-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-[4-(4-methoxyphenyl)phenyl]-7-propan-2-yl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-[4-(4-methoxyphenyl)phenyl]-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C29H26N4O MolecularWeight: 446.54294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=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/C29H26N4O/c1-19(2)23-12-15-27-26(17-23)28(32-33-29(31-27)24-5-4-16-30-18-24)22-8-6-20(7-9-22)21-10-13-25(34-3)14-11-21/h4-19,32H,1-3H3