4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-[[1-(2-phenoxyethyl)-4-piperidyl]methyl]-1,2,4-triazol-3-one CAS Name: 4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-[[1-(2-phenoxyethyl)-4-piperidinyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-2-[[1-(2-phenoxyethyl)-4-piperidyl]methyl]-1,2,4-triazol-3-one Formula: C28H38N6O2 MolecularWeight: 490.64032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)CC4CCN(CC4)CCOC5=CC=CC=C5

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)N3C=NN(C3=O)CC4CCN(CC4)CCOC5=CC=CC=C5

InChI

InChI=1S/C28H38N6O2/c1-30-14-5-15-32(19-18-30)25-8-10-26(11-9-25)33-23-29-34(28(33)35)22-24-12-16-31(17-13-24)20-21-36-27-6-3-2-4-7-27/h2-4,6-11,23-24H,5,12-22H2,1H3