N-(1-phenylethyl)-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(1-phenylethyl)-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propanamide Openeye Name: N-(1-phenylethyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide CAS Name: N-(1-phenylethyl)-2-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]propanamide IUPAC Name: N-(1-phenylethyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide Traditional Name: N-(1-phenylethyl)-2-[4-(1-phenyltetrazol-5-yl)piperazino]propionamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H27N7O/c1-17(19-9-5-3-6-10-19)23-21(30)18(2)27-13-15-28(16-14-27)22-24-25-26-29(22)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,23,30)