2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-pyridin-4-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-pyridin-4-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-[4-[4-[[(2R,4S)-2-(4-pyridyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-pyridin-4-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-pyridin-4-yl-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-[4-[4-[[(2R,4S)-2-(4-pyridyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C34H39N9O4 MolecularWeight: 637.73136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=CC=NC=C7

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=CC=NC=C7

InChI

InChI=1S/C34H39N9O4/c1-3-26(2)43-33(44)42(25-38-43)30-6-4-28(5-7-30)39-16-18-40(19-17-39)29-8-10-31(11-9-29)45-20-32-21-46-34(47-32,22-41-24-36-23-37-41)27-12-14-35-15-13-27/h4-15,23-26,32H,3,16-22H2,1-2H3/t26?,32-,34-/m0/s1