benzotriazol-1-yl 4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]benzoate Openeye Name: benzotriazol-1-yl 4-(4-indan-2-ylpiperazin-1-yl)benzoate CAS Name: 4-[4-(2,3-dihydro-1H-inden-2-yl)-1-piperazinyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]benzoate Traditional Name: 4-(4-indan-2-ylpiperazino)benzoic acid benzotriazol-1-yl ester Formula: C26H25N5O2 MolecularWeight: 439.509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CN(CCN1C2CC3=CC=CC=C3C2)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H25N5O2/c32-26(33-31-25-8-4-3-7-24(25)27-28-31)19-9-11-22(12-10-19)29-13-15-30(16-14-29)23-17-20-5-1-2-6-21(20)18-23/h1-12,23H,13-18H2