1-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidyl]-1,4-diazepan-5-one Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(=O)NCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2CCC(=O)NCC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O/c32-25-12-16-31(17-13-27-25)24-10-14-30(15-11-24)19-23-18-28-29-26(23)22-8-6-21(7-9-22)20-4-2-1-3-5-20/h1-9,18,24H,10-17,19H2,(H,27,32)(H,28,29)