2-(4-bromophenyl)-7-methyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-methyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-methyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-methyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-methyl-5-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methyl-5-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C20H15BrN4 MolecularWeight: 391.2639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C20H15BrN4/c1-13-2-7-18-17(12-13)19(14-8-10-22-11-9-14)24-25-20(23-18)15-3-5-16(21)6-4-15/h2-12,24H,1H3