4-(3-methylphenoxy)-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazino]butan-1-one Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-18-7-5-10-20(17-18)30-16-6-11-21(29)26-12-14-27(15-13-26)22-23-24-25-28(22)19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3