2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2R,4R)-2-pyridin-2-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-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2R,4R)-2-pyridin-2-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: 2-[(1R)-1-methylpropyl]-4-[4-[4-[4-[[(2R,4R)-2-(2-pyridyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one CAS Name: 2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2R,4R)-2-(2-pyridinyl)-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-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2R,4R)-2-pyridin-2-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: 2-[(1R)-1-methylpropyl]-4-[4-[4-[4-[[(2R,4R)-2-(2-pyridyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-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=CC=N7

Isomeric SMILES

CC[C@@H](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=CC=N7

InChI

InChI=1S/C34H39N9O4/c1-3-26(2)43-33(44)42(25-38-43)29-9-7-27(8-10-29)39-16-18-40(19-17-39)28-11-13-30(14-12-28)45-20-31-21-46-34(47-31,22-41-24-35-23-37-41)32-6-4-5-15-36-32/h4-15,23-26,31H,3,16-22H2,1-2H3/t26-,31-,34-/m1/s1