4-[4-[[(1-azanyl-1,2,4-triazol-3-yl)amino]methyl]piperidin-1-yl]-1-phenyl-butan-1-one

Systemtic Name: 4-[4-[[(1-azanyl-1,2,4-triazol-3-yl)amino]methyl]piperidin-1-yl]-1-phenyl-butan-1-one Openeye Name: 4-[4-[[(1-amino-1,2,4-triazol-3-yl)amino]methyl]-1-piperidyl]-1-phenyl-butan-1-one CAS Name: 4-[4-[[(1-amino-1,2,4-triazol-3-yl)amino]methyl]-1-piperidinyl]-1-phenyl-1-butanone IUPAC Name: 4-[4-[[(1-amino-1,2,4-triazol-3-yl)amino]methyl]piperidin-1-yl]-1-phenylbutan-1-one Traditional Name: 4-[4-[[(1-amino-1,2,4-triazol-3-yl)amino]methyl]piperidino]-1-phenyl-butan-1-one Formula: C18H26N6O MolecularWeight: 342.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NN(C=N2)N)CCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CNC2=NN(C=N2)N)CCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H26N6O/c19-24-14-21-18(22-24)20-13-15-8-11-23(12-9-15)10-4-7-17(25)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13,19H2,(H,20,22)