2-(3,4-dimethoxyphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-7-isopropyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-7-isopropyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3O2S MolecularWeight: 405.51262

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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)OC)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/c1-14(2)15-7-9-18-17(12-15)22(21-6-5-11-29-21)25-26-23(24-18)16-8-10-19(27-3)20(13-16)28-4/h5-14,25H,1-4H3