2-[4-(4,5-diphenyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4,5-diphenyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-[4-(4,5-diphenylthiazol-2-yl)-1,4-diazepan-1-yl]acetic acid CAS Name: 2-[4-(4,5-diphenyl-2-thiazolyl)-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-[4-(4,5-diphenyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-[4-(4,5-diphenylthiazol-2-yl)-1,4-diazepan-1-yl]acetic acid Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C22H23N3O2S/c26-19(27)16-24-12-7-13-25(15-14-24)22-23-20(17-8-3-1-4-9-17)21(28-22)18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H,26,27)