7-methoxy-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-5-(3-methoxy-4-phenylmethoxy-phenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-methoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC

InChI

InChI=1S/C27H23N3O3S/c1-31-20-11-12-22-21(16-20)26(29-30-27(28-22)25-9-6-14-34-25)19-10-13-23(24(15-19)32-2)33-17-18-7-4-3-5-8-18/h3-16,29H,17H2,1-2H3