2-(4-methoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-7-propan-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3/c1-15(2)18-8-13-22-21(14-18)23(16-4-9-19(10-5-16)28(29)30)26-27-24(25-22)17-6-11-20(31-3)12-7-17/h4-15,26H,1-3H3