1-(1-phenylethyl)-4-[3-(2H-1,2,3,4-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine

Systemtic Name: 1-(1-phenylethyl)-4-[3-(2H-1,2,3,4-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine Openeye Name: 1-(1-phenylethyl)-4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine CAS Name: 1-(1-phenylethyl)-4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine IUPAC Name: 1-(1-phenylethyl)-4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine Traditional Name: 1-(1-phenylethyl)-4-[3-(2H-tetrazol-5-yl)-9H-xanthen-9-yl]piperidine Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(CC2)C3C4=C(C=C(C=C4)C5=NNN=N5)OC6=CC=CC=C36

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCC(CC2)C3C4=C(C=C(C=C4)C5=NNN=N5)OC6=CC=CC=C36

InChI

InChI=1S/C27H27N5O/c1-18(19-7-3-2-4-8-19)32-15-13-20(14-16-32)26-22-9-5-6-10-24(22)33-25-17-21(11-12-23(25)26)27-28-30-31-29-27/h2-12,17-18,20,26H,13-16H2,1H3,(H,28,29,30,31)