5-(1H-imidazol-5-ylmethyl)-2-phenethyl-8-phenyl-3,4-dihydro-1,2,5-benzothiadiazepine

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-2-phenethyl-8-phenyl-3,4-dihydro-1,2,5-benzothiadiazepine Openeye Name: 5-(1H-imidazol-5-ylmethyl)-2-phenethyl-8-phenyl-3,4-dihydro-1,2,5-benzothiadiazepine CAS Name: 5-(1H-imidazol-5-ylmethyl)-2-phenethyl-8-phenyl-3,4-dihydro-1,2,5-benzothiadiazepine IUPAC Name: 5-(1H-imidazol-5-ylmethyl)-2-phenethyl-8-phenyl-3,4-dihydro-1,2,5-benzothiadiazepine Traditional Name: 5-(1H-imidazol-5-ylmethyl)-2-phenethyl-8-phenyl-3,4-dihydro-1,2,5-benzothiadiazepine Formula: C26H26N4S MolecularWeight: 426.57644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)C3=CC=CC=C3)SN1CCC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)C3=CC=CC=C3)SN1CCC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H26N4S/c1-3-7-21(8-4-1)13-14-30-16-15-29(19-24-18-27-20-28-24)25-12-11-23(17-26(25)31-30)22-9-5-2-6-10-22/h1-12,17-18,20H,13-16,19H2,(H,27,28)